Geometry & MOs

Info

ID:	305758
PubChem CID:	124968260
Reduced:	N8C17H18 (1)
Stoich.:	A8B17C18 (1)
Weight, g/mol:	434.304562
ΔH_f, kcal/mol:	132.22
Dipole, Da:	3.52
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4,6-dimethyl-2-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=NC=C2)C3=NC=CN=C3NC4=NC=CN=C4

DOS

IR

Vibrations