Geometry & MOs

Info

ID:	446012
PubChem CID:	135271510
Reduced:	FO3N6H29C30 (1)
Stoich.:	AB3C6D29E30 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	4.13
IP(EA), eV:	-8.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N1CC(=C(C1=O)C2=CN3CCN(CC4=C3C2=CC(=C4)F)C(=O)N5CCCCC5)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations