Geometry & MOs

Info

ID:	81057
PubChem CID:	49854297
Reduced:	O3F4N4H18C19 (1)
Stoich.:	A3B4C4D18E19 (1)
Weight, g/mol:	430.142817
ΔH_f, kcal/mol:	-269.03
Dipole, Da:	4.33
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-9-[(3,5-difluorophenyl)methyl]-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(=O)C3=CC=CC=C3F)N4CCOCC4

DOS

IR

Vibrations