Geometry & MOs

Info

ID:	183687
PubChem CID:	77058368
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-117.14
Dipole, Da:	8.54
IP(EA), eV:	-10.38(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2-amino-2-methylpropyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations