Geometry & MOs

Info

ID:	84046
PubChem CID:	49863862
Reduced:	ClN3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	478.097678
ΔH_f, kcal/mol:	20.03
Dipole, Da:	5.7
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)-2-[5-[[5-(trifluoromethyl)pyridin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CC[C@@H](C[C@H]2C1)CNC3=C4C=CC(=CC4=NC=C3)Cl

DOS

IR

Vibrations