Geometry & MOs

Info

ID:	266847
PubChem CID:	103579733
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	4.06
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations