Geometry & MOs

Info

ID:	252580
PubChem CID:	103112455
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	2.26
IP(EA), eV:	-8.75(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-ethyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)NC1=CC=CC(=C1)CN

DOS

IR

Vibrations