Geometry & MOs

Info

ID:

321289

PubChem CID:

126665675

Reduced:

ClOF3N5H25C26 (1)

Stoich.:

ABC3D5E25F26 (1)

Weight, g/mol:

577.230074

ΔHf, kcal/mol:

-110.35

Dipole, Da:

4.03

IP(EA), eV:

 -8.32(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)NC(=O)C2=CC(=NN2C3=CC=CC(=C3)CN)C(F)(F)F)C4=CC=CC=C4.Cl

DOS

IR

Vibrations