Geometry & MOs

Info

ID:	169564
PubChem CID:	75120655
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-106.27
Dipole, Da:	2.95
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC2(CCCC2)C3=CC=CS3

DOS

IR

Vibrations