Geometry & MOs

Info

ID:	389249
PubChem CID:	134991832
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-130.02
Dipole, Da:	2.0
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-3-methyl-1-propan-2-yl-4a,5,6,8a-tetrahydroquinoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC[C@@H]2C(=O)C=C(C(=O)[C@@]2(C1)OC)OC

DOS

IR

Vibrations