Geometry & MOs

Info

ID:

321313

PubChem CID:

126665763

Reduced:

O2F3N5H30C36 (1)

Stoich.:

A2B3C5D30E36 (1)

Weight, g/mol:

621.23516

ΔHf, kcal/mol:

-34.86

Dipole, Da:

1.12

IP(EA), eV:

 -8.16(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[[cyclopropyl-(2-phenylmethoxyphenyl)methyl]amino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN(CC2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)C5=CC=CC=C5OCC6=CC=CC=C6

DOS

IR

Vibrations