Geometry & MOs

Info

ID:	169294
PubChem CID:	75085436
Reduced:	NOBr2F2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	384.119796
ΔH_f, kcal/mol:	-43.07
Dipole, Da:	5.12
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-3-ylmethylideneamino)-2-[3-(trifluoromethyl)anilino]benzamide

Drug info:

PubChemData

Smile

CN1C2CCC1C(=CC3=C(C=C(C=C3)Br)F)C(=O)C2=CC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations