Geometry & MOs

Info

ID:	317312
PubChem CID:	126635545
Reduced:	F3O3N5C23H28 (1)
Stoich.:	A3B3C5D23E28 (1)
Weight, g/mol:	435.18821
ΔH_f, kcal/mol:	-227.32
Dipole, Da:	4.12
IP(EA), eV:	-8.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1H-indol-3-ylmethyl(trifluoromethyl)amino]-6-morpholin-4-yl-3-propylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)CCN3C(CN4C3=NC(=CC4=O)N5CCOCC5)C(F)(F)F

DOS

IR

Vibrations