Geometry & MOs

Info

ID:	152929
PubChem CID:	56312023
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	2.01
IP(EA), eV:	-9.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations