Geometry & MOs

Info

ID:	418669
PubChem CID:	135106530
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	7.37
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(CC)NC2=NC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations