Geometry & MOs

Info

ID:	221475
PubChem CID:	85273750
Reduced:	OH7C11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	310.087495
ΔH_f, kcal/mol:	178.95
Dipole, Da:	1.62
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7,8-dimethoxy-4-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC#CC1=COC=C1)C#CC#CC(=CC#CC2=COC=C2)C

DOS

IR

Vibrations