Geometry & MOs

Info

ID:	89486
PubChem CID:	49962066
Reduced:	ClNC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	77.2
Dipole, Da:	0.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-amino-7-methyl-4-prop-2-enyloct-1-en-4-ol

Drug info:

PubChemData

Smile

C=CC[C@H]1CC(=C[C@H](N1)CC=C)CC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations