Geometry & MOs

Info

ID:	251737
PubChem CID:	103106431
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	2.62
IP(EA), eV:	-8.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-2H-triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=CC=C(C=C1)N

DOS

IR

Vibrations