Geometry & MOs

Info

ID:	143884
PubChem CID:	53274493
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	218.057053
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	9.1
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-N-[4-(chloromethyl)-3-(dimethylamino)oxadiazol-3-ium-5-yl]ethanimidate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[N+]2=NOC(=C2CNCCC3=CC=CC=C3OC)[O-]

DOS

IR

Vibrations