Geometry & MOs

Info

ID:	423713
PubChem CID:	135120061
Reduced:	FNSO3C16H22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	7.17
IP(EA), eV:	-9.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations