Geometry & MOs

Info

ID:	131138
PubChem CID:	51161507
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-61.27
Dipole, Da:	0.6
IP(EA), eV:	-8.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CNC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations