Geometry & MOs

Info

ID:	160737
PubChem CID:	57389613
Reduced:	ClON5H24C27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	408.140925
ΔH_f, kcal/mol:	77.18
Dipole, Da:	6.44
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=N2)C(=O)N3C[C@H]4[C@@H]3CN(CC4)C5=CN=C6C=CC(=CC6=N5)Cl

DOS

IR

Vibrations