Geometry & MOs

Info

ID:	157994
PubChem CID:	56459383
Reduced:	Cl2O2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	399.046522
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	4.74
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dichloropyridin-2-yl)amino]ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)C(=O)NCCNC3=C(C=C(C=N3)Cl)Cl

DOS

IR

Vibrations