Geometry & MOs

Info

ID:	193523
PubChem CID:	78404026
Reduced:	ClN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	81.42
Dipole, Da:	2.5
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5,6-diphenyldiazinane-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CN=C2C1C(=NN2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations