Geometry & MOs

Info

ID:	220418
PubChem CID:	85189538
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-133.09
Dipole, Da:	2.82
IP(EA), eV:	-9.71(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-3-ethyl-5,7-dimethoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C=CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC(=O)O2)CC#C

DOS

IR

Vibrations