Geometry & MOs

Info

ID:	419294
PubChem CID:	135107906
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.89
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4)C(=O)O

DOS

IR

Vibrations