Geometry & MOs

Info

ID:	332156
PubChem CID:	127250442
Reduced:	ClN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	5.82
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CNC(=O)N(C1=O)CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations