Geometry & MOs

Info

ID:	252628
PubChem CID:	103112790
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	5.26
IP(EA), eV:	-10.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-(oxan-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)N(C)C(C)C(=O)O

DOS

IR

Vibrations