Geometry & MOs

Info

ID:	411770
PubChem CID:	135084604
Reduced:	OSC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	18.01
Dipole, Da:	1.43
IP(EA), eV:	-7.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-1-prop-2-ynylcyclohexane

Drug info:

PubChemData

Smile

CCCCC#CSC1=CC=C(C=C1)OC

DOS

IR

Vibrations