Geometry & MOs

Info

ID:	329425
PubChem CID:	126736619
Reduced:	FN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-150.47
Dipole, Da:	4.07
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[8-[2-[tert-butyl(methyl)amino]-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)NC(=O)CN2C3CCC2CC(C3)CNC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations