Geometry & MOs

Info

ID:	152550
PubChem CID:	56311506
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	462.263091
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	2.08
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations