Geometry & MOs

Info

ID:	252982
PubChem CID:	103115297
Reduced:	O3N7C11H11 (1)
Stoich.:	A3B7C11D11 (1)
Weight, g/mol:	271.088081
ΔH_f, kcal/mol:	55.81
Dipole, Da:	7.26
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=NC=NO3)C(=O)OC

DOS

IR

Vibrations