Geometry & MOs

Info

ID:	251571
PubChem CID:	103104973
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	33.83
Dipole, Da:	4.45
IP(EA), eV:	-9.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CN3C=CC=NC3=N2)C

DOS

IR

Vibrations