Geometry & MOs

Info

ID:	426849
PubChem CID:	135154157
Reduced:	O3N6C25H26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	507.203717
ΔH_f, kcal/mol:	10.57
Dipole, Da:	6.66
IP(EA), eV:	-8.84(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations