Geometry & MOs

Info

ID:	216443
PubChem CID:	85086246
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	5.45
IP(EA), eV:	-9.08(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3,8-dimethyl-3,4,5,6,7,8-hexahydroquinolin-2-one

Drug info:

PubChemData

Smile

C1CC2C3N(C1)CCN3C(=O)N(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations