Geometry & MOs

Info

ID:	193730
PubChem CID:	78431256
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	505.246438
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	1.73
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations