Geometry & MOs

Info

ID:	359782
PubChem CID:	127299826
Reduced:	ClON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	15.99
Dipole, Da:	10.26
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]pyridin-3-yl]-6-ethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(N=C2)NCCC3=NN=C4N3CCC4)Cl

DOS

IR

Vibrations