Geometry & MOs

Info

ID:	282388
PubChem CID:	103924757
Reduced:	NF4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	332.99761
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	3.2
IP(EA), eV:	-9.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-pent-4-yn-2-yl-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)F)F)NCCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations