Geometry & MOs

Info

ID:	411321
PubChem CID:	135084144
Reduced:	NO5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-237.93
Dipole, Da:	3.33
IP(EA), eV:	-9.45(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)ethynoxybenzene

Drug info:

PubChemData

Smile

CC1(OC2[C@H](O[C@](C2O1)(CN)CO)CO)C

DOS

IR

Vibrations