Geometry & MOs

Info

ID:	245307
PubChem CID:	99443274
Reduced:	ON5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	393.135638
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	3.49
IP(EA), eV:	-8.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-methyl-N-(1-propylbenzimidazol-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C)C

DOS

IR

Vibrations