Geometry & MOs

Info

ID:	251944
PubChem CID:	103108014
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	283.083602
ΔH_f, kcal/mol:	1.48
Dipole, Da:	6.71
IP(EA), eV:	-9.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations