Geometry & MOs

Info

ID:	279180
PubChem CID:	103841880
Reduced:	BrClNO3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	299.9665
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	4.07
IP(EA), eV:	-9.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(cyanomethyl)-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC(C)C)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations