Geometry & MOs

Info

ID:	329432
PubChem CID:	126736675
Reduced:	ClFN3O3C21H27 (1)
Stoich.:	ABC3D3E21F27 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-157.97
Dipole, Da:	5.98
IP(EA), eV:	-9.41(-0.96)
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]-1,6-dimethylindole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)NC(=O)CN2[C@@H]3CC[C@H]2CC(C3)CNC(=O)C4=CC(=CC(=C4)Cl)F

DOS

IR

Vibrations