Geometry & MOs

Info

ID:	81145
PubChem CID:	49854400
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	414.107038
ΔH_f, kcal/mol:	-196.57
Dipole, Da:	3.85
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F

DOS

IR

Vibrations