Geometry & MOs

Info

ID:	185638
PubChem CID:	77324055
Reduced:	SN4O6C21H32 (1)
Stoich.:	AB4C6D21E32 (1)
Weight, g/mol:	434.181727
ΔH_f, kcal/mol:	-232.2
Dipole, Da:	5.62
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-methyl-2-[5-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1C(=C(N2C1(CC2=O)C(C)O)C(=O)O)SC3CC(NC3)C(=O)N4CCN(CC4)CCO

DOS

IR

Vibrations