Geometry & MOs

Info

ID:	287963
PubChem CID:	104302582
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	288.9869
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	2.54
IP(EA), eV:	-9.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-4-chloro-3-methylbenzamide

Drug info:

PubChemData

Smile

CCC(CBr)NC(=O)C1=CC(=C(C=C1)Cl)C

DOS

IR

Vibrations