Geometry & MOs

Info

ID:	81241
PubChem CID:	49854498
Reduced:	ClON9C22H22 (1)
Stoich.:	ABC9D22E22 (1)
Weight, g/mol:	426.167889
ΔH_f, kcal/mol:	75.47
Dipole, Da:	4.4
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[(1S)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)NC2=NNC(=C2)C)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations