Geometry & MOs

Info

ID:	275579
PubChem CID:	103816661
Reduced:	BrON2F3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	347.01326
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	2.06
IP(EA), eV:	-9.2(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-hex-5-ynyl-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations