Geometry & MOs

Info

ID:	209400
PubChem CID:	80665490
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	333.97198
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	6.14
IP(EA), eV:	-9.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-2-chloro-N-methyl-6-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N(C)CC(C)Br)F

DOS

IR

Vibrations