Geometry & MOs

Info

ID:	251525
PubChem CID:	103104631
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-57.62
Dipole, Da:	6.63
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-methoxyphenyl)-1-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)OC)C2=CC=CC=C2OC

DOS

IR

Vibrations