Geometry & MOs

Info

ID:	393664
PubChem CID:	135021452
Reduced:	NC24H26 (1)
Stoich.:	AB24C26 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	73.23
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.726070
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C[C@H]1C[N+]2(CCC1CC2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

DOS

IR

Vibrations