Geometry & MOs

Info

ID:	209425
PubChem CID:	80671768
Reduced:	BrFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	-115.88
Dipole, Da:	1.92
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methoxypropyl)-3-cyano-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC(COC)Br)C(=O)CC1=CC(=CC=C1)F

DOS

IR

Vibrations