Geometry & MOs

Info

ID:	359783
PubChem CID:	127299827
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	10.2
IP(EA), eV:	-9.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=O)N=C(N1)C2=CN=C(C=C2)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations