Geometry & MOs

Info

ID:	206604
PubChem CID:	80271916
Reduced:	BrOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	23.35
Dipole, Da:	6.38
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-ethyl-4-methyl-2-(methylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=NC=C(S2)Br)NC

DOS

IR

Vibrations