Geometry & MOs

Info

ID:	161314
PubChem CID:	57391319
Reduced:	ClON3H12C21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	422.174276
ΔH_f, kcal/mol:	79.25
Dipole, Da:	9.72
IP(EA), eV:	-9.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=C(C(=O)C4=C(N3)C=CN=C4)C#N)Cl

DOS

IR

Vibrations