Geometry & MOs

Info

ID:	305966
PubChem CID:	124976356
Reduced:	FO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-58.32
Dipole, Da:	2.83
IP(EA), eV:	-9.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)C(=O)N2CCC[C@H](C2)C3=NC=C(O3)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations