Geometry & MOs

Info

ID:	323749
PubChem CID:	126675990
Reduced:	FN2O2C21H35 (1)
Stoich.:	AB2C2D21E35 (1)
Weight, g/mol:	452.166684
ΔH_f, kcal/mol:	-177.02
Dipole, Da:	5.36
IP(EA), eV:	-9.0(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC2C(CC3CN(CCC3N2)C4CC(C4)C(=O)O)F

DOS

IR

Vibrations