Geometry & MOs

Info

ID:	399366
PubChem CID:	135039892
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	235.181038
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	1.96
IP(EA), eV:	-8.76(0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-hydroxy-4-[(6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]but-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/CO

DOS

IR

Vibrations