Geometry & MOs

Info

ID:	343316
PubChem CID:	127266489
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	319.9619
ΔH_f, kcal/mol:	29.88
Dipole, Da:	8.23
IP(EA), eV:	-8.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3Z)-3-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4-methyl-3H-1,3-thiazol-2-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNCC2=CC(=NC=C2)N3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations