Geometry & MOs

Info

ID:	193729
PubChem CID:	78431245
Reduced:	NO4H24C30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	8.03
Dipole, Da:	37.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.390838
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(O5)C6=CC(=CC=C6)C(=O)[O-])C(=O)C1)C

DOS

IR

Vibrations