Geometry & MOs

Info

ID:	29646
PubChem CID:	836136
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	9.31
IP(EA), eV:	-8.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2,6-dimethyl-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)Br)C

DOS

IR

Vibrations