Geometry & MOs

Info

ID:	266844
PubChem CID:	103579730
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	3.06
IP(EA), eV:	-8.28(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylanilino)-N-(cyanomethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCCCCCO

DOS

IR

Vibrations