Geometry & MOs

Info

ID:	419114
PubChem CID:	135107533
Reduced:	ClOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	23.67
Dipole, Da:	3.04
IP(EA), eV:	-9.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCN(CC2)C(=O)C3=CC=CS3)Cl

DOS

IR

Vibrations