Geometry & MOs

Info

ID:	58195
PubChem CID:	24434759
Reduced:	ClO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	53.8
Dipole, Da:	2.41
IP(EA), eV:	-9.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)NNC3=C4C=C(C=CC4=NC3=O)Cl

DOS

IR

Vibrations