Geometry & MOs

Info

ID:	192108
PubChem CID:	78230009
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	496.257337
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	7.02
IP(EA), eV:	-8.55(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC2C=C3C=C(C=CC3=NC2=O)OC)C(=O)CC(C)C

DOS

IR

Vibrations