Geometry & MOs

Info

ID:	406962
PubChem CID:	135079020
Reduced:	NOPC24H26 (1)
Stoich.:	ABCD24E26 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-34.49
Dipole, Da:	3.94
IP(EA), eV:	-8.97(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-oxo-5-phenylmethoxypent-3-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(=O)(C2=CC(=CC(=C2)C)C)/N=C(/C)\C3=CC=CC=C3)C

DOS

IR

Vibrations