Geometry & MOs

Info

ID:	374469
PubChem CID:	131329813
Reduced:	BrN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	268.02113
ΔH_f, kcal/mol:	9.72
Dipole, Da:	3.64
IP(EA), eV:	-8.16(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-7-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCNC1CCNC2=C1C=C(C=C2C)Br

DOS

IR

Vibrations