Geometry & MOs

Info

ID:	166587
PubChem CID:	74712636
Reduced:	ClNO5C29H32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	509.196901
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	2.22
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)Cl)OC

DOS

IR

Vibrations