Geometry & MOs

Info

ID:	181803
PubChem CID:	76794478
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	5.26
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-butyl-3-(4-methoxyphenyl)-5-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)C(C=NC2=C(C=C1)C(=O)N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations