Geometry & MOs

Info

ID:	22479
PubChem CID:	597358
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	5.37
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[acetyl(benzhydryl)amino]methyl]penta-2,4-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C=C(CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C)C=C

DOS

IR

Vibrations