Geometry & MOs

Info

ID:	332970
PubChem CID:	127251394
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	4.52
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-aminopyridin-3-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=CC(=CC=C3)Cl)C4=CN=C(N=C4)N

DOS

IR

Vibrations