Geometry & MOs

Info

ID:	267394
PubChem CID:	103582093
Reduced:	BrNSO2C13H20 (1)
Stoich.:	ABCD2E13F20 (1)
Weight, g/mol:	322.04809
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	6.06
IP(EA), eV:	-8.43(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(5-fluoropyridin-3-yl)ethyl]-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NC1=CC(=C(C(=C1)C)Br)C

DOS

IR

Vibrations