Geometry & MOs

Info

ID:	251668
PubChem CID:	103105808
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	263.107005
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	4.4
IP(EA), eV:	-10.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(2-fluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC(=O)NC(=O)NC2CC2)C(=O)OC

DOS

IR

Vibrations