Geometry & MOs

Info

ID:	384235
PubChem CID:	134976594
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	3.7
IP(EA), eV:	-8.58(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-acetyloxycyclohepten-1-yl)ethynyl]cyclohepten-1-yl] acetate

Drug info:

PubChemData

Smile

CCC12CCC(CC1)(OO2)CCCCC#CCOC3CCCCO3

DOS

IR

Vibrations