Geometry & MOs

Info

ID:	280370
PubChem CID:	103848676
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	2.54
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CC2=CC=CS2)O

DOS

IR

Vibrations