Geometry & MOs

Info

ID:	198938
PubChem CID:	79175206
Reduced:	N2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	309.08406
ΔH_f, kcal/mol:	83.1
Dipole, Da:	3.34
IP(EA), eV:	-8.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)aniline

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=N1)N2CCC3CCC(C2)N3C)N

DOS

IR

Vibrations