Geometry & MOs

Info

ID:	251663
PubChem CID:	103105782
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-108.96
Dipole, Da:	1.84
IP(EA), eV:	-10.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(2,4,6-trimethylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)NCCC(C)C)C(=O)OC

DOS

IR

Vibrations