Geometry & MOs

Info

ID:	421689
PubChem CID:	135116430
Reduced:	FN5C18H22 (1)
Stoich.:	AB5C18D22 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	19.78
Dipole, Da:	0.58
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)furan-2-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=C(C=CC=N4)F

DOS

IR

Vibrations