Geometry & MOs

Info

ID:	47815
PubChem CID:	10535460
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	183.100571
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	3.73
IP(EA), eV:	-10.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-deuterio-4,5-dimethoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C(/C=C/C#N)O)C

DOS

IR

Vibrations