Geometry & MOs

Info

ID:	226019
PubChem CID:	87246620
Reduced:	FO2N7C22H22 (1)
Stoich.:	AB2C7D22E22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	0.69
Dipole, Da:	3.53
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-pent-2-enoxy]prop-1-ynylcyclohexane

Drug info:

PubChemData

Smile

CC1CNCCN1C2=CC3=C(C(=C2)F)C4=NC(=NN4C(=N3)CC5=CC6=C(C=C5)OCO6)N

DOS

IR

Vibrations