Geometry & MOs

Info

ID:	169083
PubChem CID:	75061593
Reduced:	BrO3N4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-93.08
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.854904
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-methyl-4aH-quinolin-4-one;7-methoxy-2-methyl-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)N1CC(=NC2=[N+](C(=O)N(C(=O)C21)C)C)Br

DOS

IR

Vibrations