Geometry & MOs

Info

ID:	273146
PubChem CID:	103770573
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	5.55
IP(EA), eV:	-10.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CC(=CN1C)[N+](=O)[O-])O

DOS

IR

Vibrations