Geometry & MOs

Info

ID:	420363
PubChem CID:	135112729
Reduced:	ClN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	83.44
Dipole, Da:	3.46
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCC3=C(C2)C(=NN3)C4CC4)Cl

DOS

IR

Vibrations