Geometry & MOs

Info

ID:	421583
PubChem CID:	135116262
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-218.88
Dipole, Da:	3.83
IP(EA), eV:	-8.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O)OC

DOS

IR

Vibrations