Geometry & MOs

Info

ID:	89484
PubChem CID:	49962061
Reduced:	ClNOC8H15 (1)
Stoich.:	ABCD8E15 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757164
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-amino-6-methyl-4-prop-2-enyloct-1-en-4-ol

Drug info:

PubChemData

Smile

C=CCC(CC=C)(CN)O.[Cl-]

DOS

IR

Vibrations