Geometry & MOs

Info

ID:	323750
PubChem CID:	126675994
Reduced:	ClFN2O2C26H26 (1)
Stoich.:	ABC2D2E26F26 (1)
Weight, g/mol:	418.205656
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	4.16
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-methylbutanal

Drug info:

PubChemData

Smile

CC(CCN1CCC2=NC(=C(C=C2C1)F)C3=CC=C(C=C3)OCC4=CC(=CC=C4)Cl)C=O

DOS

IR

Vibrations