Geometry & MOs

Info

ID:	383985
PubChem CID:	134976118
Reduced:	NO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	2.59
IP(EA), eV:	-10.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]([C@H](CO)[N+](=O)[O-])O

DOS

IR

Vibrations