Geometry & MOs

Info

ID:	332965
PubChem CID:	127251389
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	7.07
IP(EA), eV:	-8.81(-0.29)
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]-2-methyl-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)(C)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN(N=C4)C)C

DOS

IR

Vibrations