Geometry & MOs

Info

ID:	176470
PubChem CID:	76054333
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	7.63
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCN1CC(C(=O)N(C1=O)CC2CN(C(=O)O2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations