Geometry & MOs

Info

ID:	49023
PubChem CID:	11528625
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	2.8
IP(EA), eV:	-7.99(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethanehydrazonoylphenyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC3(N2C)CC3)C(=C1O)C

DOS

IR

Vibrations