Geometry & MOs

Info

ID:	306024
PubChem CID:	125000697
Reduced:	N5O6C18H23 (1)
Stoich.:	A5B6C18D23 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-259.42
Dipole, Da:	6.25
IP(EA), eV:	-9.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]pyridin-4-yl]ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCC[C@@]3(CC2)CC4=C(O3)NC(=O)NC4=O)C

DOS

IR

Vibrations