Geometry & MOs

Info

ID:	251671
PubChem CID:	103105831
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	355.06439
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	5.48
IP(EA), eV:	-10.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CCCO)C(=O)OC

DOS

IR

Vibrations