Geometry & MOs

Info

ID:	332287
PubChem CID:	127250573
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	435.207053
ΔH_f, kcal/mol:	-33.82
Dipole, Da:	5.01
IP(EA), eV:	-8.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=CN=C(C=C4)N

DOS

IR

Vibrations