Geometry & MOs

Info

ID:	192978
PubChem CID:	78330673
Reduced:	ClOSN6C21H27 (1)
Stoich.:	ABCD6E21F27 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	27.92
Dipole, Da:	5.22
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3NCNN3C4=CC=CC=C4

DOS

IR

Vibrations