Geometry & MOs

Info

ID:	71371
PubChem CID:	48414707
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	20.29
Dipole, Da:	3.07
IP(EA), eV:	-8.83(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations