Geometry & MOs

Info

ID:	43351
PubChem CID:	10321164
Reduced:	BrFO2N6H12C18 (1)
Stoich.:	ABC2D6E12F18 (1)
Weight, g/mol:	443.095612
ΔH_f, kcal/mol:	58.08
Dipole, Da:	9.64
IP(EA), eV:	-8.66(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(C=NN3C(=C2)NC(=O)N=C4C=CN(C=C4)O)Br)F

DOS

IR

Vibrations