Geometry & MOs

Info

ID:	422430
PubChem CID:	135117821
Reduced:	ON3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	22.7
Dipole, Da:	3.17
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCCC2=NOC(=N2)C3CCCO3

DOS

IR

Vibrations