Geometry & MOs

Info

ID:	332109
PubChem CID:	127250395
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	423.146203
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	3.44
IP(EA), eV:	-9.52(-1.23)
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]-3-(3-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations