Geometry & MOs

Info

ID:	30121
PubChem CID:	840144
Reduced:	N3O4C10H14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	276.060703
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.906037
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=C2C(=C[C@H](ON2C=N1)C)O

DOS

IR

Vibrations