Geometry & MOs

Info

ID:	166586
PubChem CID:	74712635
Reduced:	ClNO5C28H30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	509.196901
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	1.98
IP(EA), eV:	-8.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)Cl)OC)C(=O)CC(C2)(C)C

DOS

IR

Vibrations