Geometry & MOs

Info

ID:	331483
PubChem CID:	127248890
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	12.66
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)C(=O)N)N(C)C

DOS

IR

Vibrations