Geometry & MOs

Info

ID:	252589
PubChem CID:	103112505
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-203.77
Dipole, Da:	7.39
IP(EA), eV:	-9.81(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(3-hydroxy-3-methylbutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)N1CCCCC1(C)C(=O)O

DOS

IR

Vibrations