Geometry & MOs

Info

ID:	383847
PubChem CID:	134975839
Reduced:	LiNC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	58.28
Dipole, Da:	20.37
IP(EA), eV:	-5.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-2,4-dimethyl-1-phenylpentane-1,3-diol

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)C(CN(C)C)[CH-]C1=CC=CC=C1

DOS

IR

Vibrations