Geometry & MOs

Info

ID:	422004
PubChem CID:	135116996
Reduced:	N5O6C29H29 (1)
Stoich.:	A5B6C29D29 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	4.99
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)NCC3=CC=C(CNC(=O)C4=C(C(=CC=C4)OC)OCC5=CN(CCO2)N=N5)C=C3

DOS

IR

Vibrations