Geometry & MOs

Info

ID:	37664
PubChem CID:	8022924
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	343.108754
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	4.74
IP(EA), eV:	-8.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(Z)-[4-(N-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N/N=C\C3=CC=C(C=C3)Br

DOS

IR

Vibrations