Geometry & MOs

Info

ID:	251725
PubChem CID:	103106324
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	6.37
IP(EA), eV:	-10.11(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations