Geometry & MOs

Info

ID:	273779
PubChem CID:	103799616
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	4.14
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CSC1=CC=CC=C1

DOS

IR

Vibrations