Geometry & MOs

Info

ID:	426770
PubChem CID:	135153799
Reduced:	ClO3N5C23H34 (1)
Stoich.:	AB3C5D23E34 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-89.4
Dipole, Da:	6.25
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-2-(methylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NNC(=N3)Cl

DOS

IR

Vibrations