Geometry & MOs

Info

ID:	287927
PubChem CID:	104299904
Reduced:	BrClNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	362.96564
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	4.42
IP(EA), eV:	-9.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-bromoethyl)-3-methyl-N-propylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(CCCl)C2CC2)Br

DOS

IR

Vibrations