Geometry & MOs

Info

ID:	280368
PubChem CID:	103848668
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	3.6
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CCSC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations