Geometry & MOs

Info

ID:	296659
PubChem CID:	117587776
Reduced:	NOCl2C4H5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	219.029835
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	2.11
IP(EA), eV:	-9.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-4,5-dihydroxybenzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CN=C(O1)Cl.Cl

DOS

IR

Vibrations