Geometry & MOs

Info

ID:	332943
PubChem CID:	127251367
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	424.258674
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	3.02
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=C(N=CS3)C)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations