Geometry & MOs

Info

ID:	288184
PubChem CID:	104313240
Reduced:	BrN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	344.08881
ΔH_f, kcal/mol:	30.31
Dipole, Da:	1.89
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CCC=C)C1=NC=C(C=C1)Br

DOS

IR

Vibrations