Geometry & MOs

Info

ID:	178520
PubChem CID:	76341392
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	4.37
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxy-4-methoxyphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations