Geometry & MOs

Info

ID:	81333
PubChem CID:	49854612
Reduced:	F3N4O4C20H23 (1)
Stoich.:	A3B4C4D20E23 (1)
Weight, g/mol:	454.18279
ΔH_f, kcal/mol:	-285.97
Dipole, Da:	5.73
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-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)C[C@H](C3=CC(=CC=C3)O)O)N4CCOCC4

DOS

IR

Vibrations