Geometry & MOs

Info

ID:	47846
PubChem CID:	10535602
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	188.069811
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	5.74
IP(EA), eV:	-10.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylideneamino)-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

CC(C(=O)/C=C/C(=O)O)OCOC

DOS

IR

Vibrations