Geometry & MOs

Info

ID:	401822
PubChem CID:	135052777
Reduced:	ClON4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	80.9
Dipole, Da:	3.94
IP(EA), eV:	-9.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(Z)-amino-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino] ethyl carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2[N+]#N)N.[Cl-]

DOS

IR

Vibrations