Geometry & MOs

Info

ID:	290025
PubChem CID:	104397966
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	20.06
Dipole, Da:	4.26
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-cyanoanilino)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NC(C)C(=O)NC2CC2)C#N

DOS

IR

Vibrations