Geometry & MOs

Info

ID:	405843
PubChem CID:	135075606
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	220.125201
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	2.09
IP(EA), eV:	-10.12(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropylcyclohexa-2,4-dien-1-yl)ethynylbenzene

Drug info:

PubChemData

Smile

CC(=O)[C@@]1(CCCCC1=C)C(=O)OC

DOS

IR

Vibrations