Geometry & MOs

Info

ID:	49467
PubChem CID:	11533061
Reduced:	N2O2F3H25C28 (1)
Stoich.:	A2B2C3D25E28 (1)
Weight, g/mol:	478.249252
ΔH_f, kcal/mol:	-126.09
Dipole, Da:	4.94
IP(EA), eV:	-8.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]morpholin-4-yl]-6-(3-fluoropyridin-4-yl)-3-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN1CCCOC2=CC=C(C=C2)N3C4=CC=CC=C4/C(=C/C5=CC(=CC=C5)C(F)(F)F)/C3=O

DOS

IR

Vibrations