Geometry & MOs

Info

ID:	416064
PubChem CID:	135089069
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	352.237545
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.53
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-ethyl-2-methylpyrimidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCCC(C2)COC)Cl

DOS

IR

Vibrations