Geometry & MOs

Info

ID:	131137
PubChem CID:	51161506
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-80.2
Dipole, Da:	2.08
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations