Geometry & MOs

Info

ID:	43601
PubChem CID:	10321525
Reduced:	ON2C8H10 (3)
Stoich.:	AB2C8D10 (3)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	6.3
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)/C=N/C1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2CC4CC4)CC5CC5

DOS

IR

Vibrations