Geometry & MOs

Info

ID:	201974
PubChem CID:	79611020
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	-8.96
Dipole, Da:	8.02
IP(EA), eV:	-9.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)CC2CC3CCC(C2)N3

DOS

IR

Vibrations