Geometry & MOs

Info

ID:	399387
PubChem CID:	135039976
Reduced:	NOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	32.11
Dipole, Da:	1.78
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-methyl-6-phenylhexane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=CC=C=O

DOS

IR

Vibrations