Geometry & MOs

Info

ID:	277107
PubChem CID:	103826757
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	333.01312
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	4.86
IP(EA), eV:	-9.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations