Geometry & MOs

Info

ID:	399417
PubChem CID:	135040162
Reduced:	YN2C4H10 (1)
Stoich.:	AB2C4D10 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	74.02
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.232521
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-5-[(4-methoxyphenyl)methoxy]-4-methylpentane-1,2-diol

Drug info:

PubChemData

Smile

[CH2-]CN(C[CH2-])N.[Y]

DOS

IR

Vibrations