Geometry & MOs

Info

ID:	294242
PubChem CID:	117439523
Reduced:	BrN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	4.03
IP(EA), eV:	-9.71(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4,5-dimethoxy-2-methylphenyl)ethanol

Drug info:

PubChemData

Smile

CC(CN)C1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]

DOS

IR

Vibrations