Geometry & MOs

Info

ID:	287964
PubChem CID:	104302585
Reduced:	BrClNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	318.99747
ΔH_f, kcal/mol:	-55.84
Dipole, Da:	3.06
IP(EA), eV:	-9.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methoxypropyl)-4-chloro-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)Br)Cl

DOS

IR

Vibrations