Geometry & MOs

Info

ID:	81146
PubChem CID:	49854401
Reduced:	ClO2F3N4C18H18 (1)
Stoich.:	AB2C3D4E18F18 (1)
Weight, g/mol:	448.133395
ΔH_f, kcal/mol:	-197.3
Dipole, Da:	2.02
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)C3=CC=C(C=C3)Cl)N4CCOCC4

DOS

IR

Vibrations