Geometry & MOs

Info

ID:	4060
PubChem CID:	10664
Reduced:	ClNOC4H7 (2)
Stoich.:	ABCD4E7 (2)
Weight, g/mol:	240.043233
ΔH_f, kcal/mol:	-140.29
Dipole, Da:	6.66
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CN)CO.Cl.Cl

DOS

IR

Vibrations