Geometry & MOs

Info

ID:	54732
PubChem CID:	17389172
Reduced:	OBr2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	91.52
Dipole, Da:	10.91
IP(EA), eV:	-8.27(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-cyano-2-[(2E)-6-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-ylidene]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=N/C(=C\2/C=C(C=C(C2=O)Br)Br)/N1)N/N=C/C3=CC=CC=C3

DOS

IR

Vibrations