Geometry & MOs

Info

ID:	382707
PubChem CID:	134974024
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	2.22
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,5E)-4-hydroxy-6-phenyl-4-(phenylmethoxycarbonylaminomethyl)hexa-2,5-dienoate

Drug info:

PubChemData

Smile

CC(C)OC(C(=O)/C=C/C1=CC=CC=C1)OC(C)C

DOS

IR

Vibrations