Geometry & MOs

Info

ID:	313900
PubChem CID:	126618759
Reduced:	ClN3O3C28H30 (1)
Stoich.:	AB3C3D28E30 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	5.88
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CC2=CN=C(N=C2CC13CCC3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations