Geometry & MOs

Info

ID:	420749
PubChem CID:	135114759
Reduced:	NSF2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	360.115317
ΔH_f, kcal/mol:	-165.65
Dipole, Da:	4.72
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)F)C4=C1C=CS4

DOS

IR

Vibrations