Geometry & MOs

Info

ID:

325141

PubChem CID:

126681393

Reduced:

FON2S3C36H48 (2)

Stoich.:

ABC2D3E36F48 (2)

Weight, g/mol:

498.243104

ΔHf, kcal/mol:

-122.84

Dipole, Da:

2.86

IP(EA), eV:

 -8.01(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C3=C(C=C(S3)C4=C(C=C(C5=NSN=C45)C6=CC7=C(S6)C8=C(C=C(S8)C9=CC(=C(C1=NSN=C91)C)F)C(O7)(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)F)C(O2)(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C

DOS

IR

Vibrations