Geometry & MOs

Info

ID:	146747
PubChem CID:	53743249
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	4.22
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(2-ethylpyridin-4-yl)phenyl]iminomethyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=C1CCC(=O)C=C1)CC2=CC=C(C=C2)O

DOS

IR

Vibrations