Geometry & MOs

Info

ID:	179141
PubChem CID:	76440918
Reduced:	OSN6H13C15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	370.150427
ΔH_f, kcal/mol:	116.46
Dipole, Da:	8.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838724
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CC3=C(C2=O)N=NC4=[N+]3NC(=N4)SC

DOS

IR

Vibrations