Geometry & MOs

Info

ID:	147428
PubChem CID:	53787084
Reduced:	Cl2N2O2C29H30 (1)
Stoich.:	A2B2C2D29E30 (1)
Weight, g/mol:	445.08887
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	3.22
IP(EA), eV:	-7.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1-benzyl-6-bromo-3,4-dihydroquinoline-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CN1C(=C2C=CC=CC2=C1O)C(CCN3CCC(CC3)(C4=CC=CC=C4)O)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations