Geometry & MOs

Info

ID:	55184
PubChem CID:	17389865
Reduced:	ClNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	317.111067
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CO)N)Cl

DOS

IR

Vibrations