Geometry & MOs

Info

ID:	396711
PubChem CID:	135029061
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	287.1674
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-4,6-diphenyl-4a,5,6,7,8,8a-hexahydroquinoline

Drug info:

PubChemData

Smile

CCC[C@@H](C1=NC2=C(C=C(C=C2)C)C3=CC=CC=C31)C(=O)OCC

DOS

IR

Vibrations