Geometry & MOs

Info

ID:	216553
PubChem CID:	85086411
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-methoxy-7-methylcycloheptene

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C=CC2C1C(CC(C2)C(=O)C)O)C

DOS

IR

Vibrations