Geometry & MOs

Info

ID:	138653
PubChem CID:	52401793
Reduced:	OSN3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	332.097249
ΔH_f, kcal/mol:	47.58
Dipole, Da:	7.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083630
Charge, e:	0

Chem-info

IUPAC name:

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C[NH2+]CC2=CN3C(=C(SC3=N2)C)C)CC=C

DOS

IR

Vibrations