Geometry & MOs

Info

ID:	283443
PubChem CID:	103981477
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	8.01
Dipole, Da:	8.16
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)azepan-4-amine

Drug info:

PubChemData

Smile

C1CC(CCNC1)NC2=C(C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations