Geometry & MOs

Info

ID:	209396
PubChem CID:	80665303
Reduced:	BrNOF4C12H12 (1)
Stoich.:	ABCD4E12F12 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-234.74
Dipole, Da:	5.05
IP(EA), eV:	-9.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-3-hydroxy-N,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=C(C(=CC=C1)C(F)(F)F)F)Br

DOS

IR

Vibrations