Geometry & MOs

Info

ID:	419090
PubChem CID:	135107460
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	4.47
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanol

Drug info:

PubChemData

Smile

CSC1=NC=C(C=N1)CN2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations