Geometry & MOs

Info

ID:	157967
PubChem CID:	56459356
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	435.161915
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	3.25
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NCCCOC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations