Geometry & MOs

Info

ID:	252984
PubChem CID:	103115302
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	1.92
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-methoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)N)N1C(=C(N=N1)C(=O)OC)C2=CN(N=C2)C

DOS

IR

Vibrations