Geometry & MOs

Info

ID:	416914
PubChem CID:	135090778
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	5.47
IP(EA), eV:	-8.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCCCN(C2)CC3CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations