Geometry & MOs

Info

ID:	422875
PubChem CID:	135118547
Reduced:	O4N6C29H36 (1)
Stoich.:	A4B6C29D36 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	3.19
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(2-methylpyrazol-3-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCCOC4=C(C(=O)N5CCC6(CCCN(C2)C6)CC5)N=CC=C4)N=N3

DOS

IR

Vibrations