Geometry & MOs

Info

ID:	251727
PubChem CID:	103106338
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	4.7
IP(EA), eV:	-10.1(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CCCCC2)C(C)(C)C

DOS

IR

Vibrations