Geometry & MOs

Info

ID:	418007
PubChem CID:	135103307
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	8.88
IP(EA), eV:	-8.93(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-(4-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CN3C=CC(=O)C=C3

DOS

IR

Vibrations