Geometry & MOs

Info

ID:	49720
PubChem CID:	11533658
Reduced:	O2N6H28C31 (1)
Stoich.:	A2B6C28D31 (1)
Weight, g/mol:	516.227374
ΔH_f, kcal/mol:	36.85
Dipole, Da:	5.86
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-N-pyrimidin-4-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)NC2=CC=NC=C2)CC3=CC=C(C=C3)C4=C(C=C5C(=N4)C=CNC5=O)C6=CC=CC=C6

DOS

IR

Vibrations