Geometry & MOs

Info

ID:	281053
PubChem CID:	103852618
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	4.25
IP(EA), eV:	-9.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C)Br

DOS

IR

Vibrations