Geometry & MOs

Info

ID:	71798
PubChem CID:	48415426
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	3.57
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CS3

DOS

IR

Vibrations