Geometry & MOs

Info

ID:	187632
PubChem CID:	77601274
Reduced:	ClO7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-305.03
Dipole, Da:	7.32
IP(EA), eV:	-9.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-8-phenylmethoxy-1,3,4,4a,5,8a-hexahydroquinolin-2-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)OCCl)OC(=O)O)CCC4=CC(=O)C=CC34C)O

DOS

IR

Vibrations