Geometry & MOs

Info

ID:	252624
PubChem CID:	103112770
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	6.0
IP(EA), eV:	-10.39(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)NC2(CC2)C(=O)O

DOS

IR

Vibrations