Geometry & MOs

Info

ID:	177381
PubChem CID:	76178751
Reduced:	YN2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	426.105423
ΔH_f, kcal/mol:	111.3
Dipole, Da:	6.23
IP(EA), eV:	-5.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-6-id-2-one;tungsten(2+)

Drug info:

PubChemData

Smile

CNC1=CC=C[C-]=C1N.[Y+3]

DOS

IR

Vibrations