Geometry & MOs

Info

ID:	400106
PubChem CID:	135045493
Reduced:	FOSH11C16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	3.08
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2,4-dimethyl-4a,5,6,7,8,8a-hexahydroisoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=O)C3=C(S2)C(=CC=C3)F

DOS

IR

Vibrations