Geometry & MOs

Info

ID:	49515
PubChem CID:	11533155
Reduced:	NH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	484.172225
ΔH_f, kcal/mol:	117.83
Dipole, Da:	2.34
IP(EA), eV:	-6.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-4-(2-hydroxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C[N+]3=CC=CC=C3C(=C2C4=CC5=CC=CC=[N+]5C=C14)C

DOS

IR

Vibrations