Geometry & MOs

Info

ID:	252598
PubChem CID:	103112560
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-161.18
Dipole, Da:	9.21
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-(2-methylbutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations