Geometry & MOs

Info

ID:	332297
PubChem CID:	127250583
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	0.87
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CNN=C4)O

DOS

IR

Vibrations