Geometry & MOs

Info

ID:	272768
PubChem CID:	103756356
Reduced:	BrClNO2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	2.98
IP(EA), eV:	-9.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromopyridin-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)C2=CC(=NC=C2)Br)Cl

DOS

IR

Vibrations