Geometry & MOs

Info

ID:	167031
PubChem CID:	74769628
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	1.4
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)SC

DOS

IR

Vibrations