Geometry & MOs

Info

ID:	371821
PubChem CID:	131273438
Reduced:	ClFNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-157.77
Dipole, Da:	3.0
IP(EA), eV:	-9.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-amino(cyclopropyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

Drug info:

PubChemData

Smile

COC(=O)C(C1=C(C=CC(=C1O)F)Cl)N

DOS

IR

Vibrations