Geometry & MOs

Info

ID:	329444
PubChem CID:	126736772
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	414.243104
ΔH_f, kcal/mol:	-163.24
Dipole, Da:	2.02
IP(EA), eV:	-9.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-fluoro-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C(N(CCC1=O)OC(=O)O)C(C)(C)C)C

DOS

IR

Vibrations