Geometry & MOs

Info

ID:	277179
PubChem CID:	103827173
Reduced:	BrClNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	318.97232
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	4.38
IP(EA), eV:	-9.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(carbamoylamino)ethyl]-5-chlorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations