Geometry & MOs

Info

ID:	192187
PubChem CID:	78237591
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	1.82
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCCCN(C)CC1C(=NC2=C(C=CC=C2C1=O)C)C

DOS

IR

Vibrations