Geometry & MOs

Info

ID:	422316
PubChem CID:	135117627
Reduced:	FN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	2.57
IP(EA), eV:	-9.02(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-[5-(methylsulfonylmethyl)pyridin-2-yl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)CN2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations