Geometry & MOs

Info

ID:	313927
PubChem CID:	126619008
Reduced:	N3O3F4C27H27 (1)
Stoich.:	A3B3C4D27E27 (1)
Weight, g/mol:	334.148141
ΔH_f, kcal/mol:	-267.08
Dipole, Da:	3.16
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC2=CC(=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)F)C(F)(F)F

DOS

IR

Vibrations