Geometry & MOs

Info

ID:	192093
PubChem CID:	78227750
Reduced:	SO2N7C18H21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	35.1
Dipole, Da:	5.74
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-N-[(6-ethoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=NC3C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

DOS

IR

Vibrations