Geometry & MOs

Info

ID:	71816
PubChem CID:	48415500
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	3.08
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations