Geometry & MOs

Info

ID:	418600
PubChem CID:	135106084
Reduced:	O4N6C21H28 (1)
Stoich.:	A4B6C21D28 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	11.45
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)N3CCN(CCNC(=O)CCC4=CN(CCO2)N=N4)CC3

DOS

IR

Vibrations