Geometry & MOs

Info

ID:	287965
PubChem CID:	104302588
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	303.00255
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	6.2
IP(EA), eV:	-9.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromobutyl)-4-chloro-3-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations