Geometry & MOs

Info

ID:	359519
PubChem CID:	127298793
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	4.28
Dipole, Da:	4.36
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

DOS

IR

Vibrations