Geometry & MOs

Info

ID:	417243
PubChem CID:	135091779
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-178.89
Dipole, Da:	6.85
IP(EA), eV:	-9.55(0.1)
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-pyrazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CC[C@@H]([C@@](C1)(CC2=CC=CC=C2)C(=O)O)O

DOS

IR

Vibrations