Geometry & MOs

Info

ID:	151809
PubChem CID:	56310619
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	461.279075
ΔH_f, kcal/mol:	-142.74
Dipole, Da:	7.02
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NNC(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations