Geometry & MOs

Info

ID:	353050
PubChem CID:	127284200
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	338.268176
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	4.24
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-3-methyl-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations