Geometry & MOs

Info

ID:	71329
PubChem CID:	48414630
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	1.48
Dipole, Da:	3.3
IP(EA), eV:	-8.88(-0.54)
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-diethoxybenzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations