Geometry & MOs

Info

ID:	191103
PubChem CID:	78103963
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	3.48
IP(EA), eV:	-8.94(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-phenylmethoxyhexane-1,3-diol

Drug info:

PubChemData

Smile

CCN1C2CC(CCC2C3C(C1=O)CNN3)C4=CC=CC=C4CN(C)C

DOS

IR

Vibrations