Geometry & MOs

Info

ID:	331353
PubChem CID:	127248760
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	6.52
IP(EA), eV:	-8.93(-0.57)
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-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)C(=O)N)N(C)C

DOS

IR

Vibrations