Geometry & MOs

Info

ID:	372720
PubChem CID:	131303178
Reduced:	SN2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	212.069811
ΔH_f, kcal/mol:	8.88
Dipole, Da:	1.43
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-oxocyclohexa-2,4-dien-1-ylidene)amino]-1,2-dihydropyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(S2)C)CC(C)(C)N

DOS

IR

Vibrations