Geometry & MOs

Info

ID:	251724
PubChem CID:	103106320
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-60.46
Dipole, Da:	4.82
IP(EA), eV:	-9.89(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(3,3-dimethylbutyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations