Geometry & MOs

Info

ID:	26627
PubChem CID:	794100
Reduced:	ClN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	3.42
IP(EA), eV:	-9.01(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-phenylethyl]-2,3,5,6,7,8-hexahydroquinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)Cl)[N+](=O)[O-]

DOS

IR

Vibrations