Geometry & MOs

Info

ID:	435078
PubChem CID:	135179998
Reduced:	Cl2F2O3N4C25H26 (1)
Stoich.:	A2B2C3D4E25F26 (1)
Weight, g/mol:	328.133554
ΔH_f, kcal/mol:	-177.64
Dipole, Da:	2.29
IP(EA), eV:	-8.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C=C(N=CC3=C2)NC4CCOC4)NC5CCC(C5)(F)F)Cl)OC

DOS

IR

Vibrations