Geometry & MOs

Info

ID:	193839
PubChem CID:	78445443
Reduced:	ClNO5H30C32 (1)
Stoich.:	ABC5D30E32 (1)
Weight, g/mol:	537.228201
ΔH_f, kcal/mol:	-128.53
Dipole, Da:	3.51
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 7-(4-chlorophenyl)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC(=CC=C4)OC)C(=O)CC(C2)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations