Geometry & MOs

Info

ID:	288240
PubChem CID:	104314002
Reduced:	BrN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	330.07316
ΔH_f, kcal/mol:	37.87
Dipole, Da:	1.7
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromopyridin-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC(C2=C(C=CC=N2)Br)NCC

DOS

IR

Vibrations