Geometry & MOs

Info

ID:	426882
PubChem CID:	135154328
Reduced:	O3N7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	522.247835
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	5.77
IP(EA), eV:	-8.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,4-dimethoxyphenyl)methylamino]-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCCC4=CNN=C4

DOS

IR

Vibrations