Geometry & MOs

Info

ID:	421962
PubChem CID:	135116917
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	3.12
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CC[C@]([C@H](C1)O)(CC2=CC=CC=C2)C(=O)O)C3CCCC3

DOS

IR

Vibrations