Geometry & MOs

Info

ID:	426888
PubChem CID:	135154359
Reduced:	ClO2N5H28C29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	23.15
Dipole, Da:	7.14
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methoxyphenyl)methyl]-2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-7,8-dihydro-1,6-naphthyridin-5-one

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=N1)N)CC2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations