Geometry & MOs

Info

ID:	224683
PubChem CID:	85346387
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.147987
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	2.99
IP(EA), eV:	-8.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-(1,3-dithian-2-yl)-6-methoxy-8,9a-dimethyl-2,3,5,5a,6,9b-hexahydro-1H-cyclopenta[a]naphthalene-4,9-dione

Drug info:

PubChemData

Smile

CC1C(=O)N2CCC3=CC(=C(C=C3C2(C(=O)N1)CC4=CC=CC=C4)OC)OC

DOS

IR

Vibrations