Geometry & MOs

Info

ID:	313891
PubChem CID:	126618691
Reduced:	ClN2O3C29H33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	434.200571
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	2.6
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-fluoro-2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC=C3CN(CCC3=C2)CCC(=O)OC(C)(C)C)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations