Geometry & MOs

Info

ID:	81329
PubChem CID:	49854608
Reduced:	ON9C22H29 (1)
Stoich.:	AB9C22D29 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	35.44
Dipole, Da:	3.78
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-2-morpholin-4-yl-9-(2-phenylacetyl)-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)NC4CCCCC4

DOS

IR

Vibrations