Geometry & MOs

Info

ID:	80918
PubChem CID:	49853886
Reduced:	O2N3C19H35 (1)
Stoich.:	A2B3C19D35 (1)
Weight, g/mol:	424.172225
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	2.49
IP(EA), eV:	-8.88(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CCNC(=O)CN1CCN(CC1)C(=O)C2CCCCC2

DOS

IR

Vibrations