Geometry & MOs

Info

ID:

313346

PubChem CID:

126614034

Reduced:

FON5C26H28 (1)

Stoich.:

ABC5D26E28 (1)

Weight, g/mol:

528.226072

ΔHf, kcal/mol:

-9.12

Dipole, Da:

4.73

IP(EA), eV:

 -9.25(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)-3-fluoro-2,6-dimethylphenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=C(C=C2)CN3C=C(C(=N3)CF)C(=O)NCC4=C(C=C(C=C4C)CN)C

DOS

IR

Vibrations