Geometry & MOs

Info

ID:	435966
PubChem CID:	135193055
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	251.03096
ΔH_f, kcal/mol:	9.47
Dipole, Da:	2.16
IP(EA), eV:	-8.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-5-bromo-2,7,9,10-tetrahydro-1H-1-benzazonine

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C)\OC2C=CC=CC2N1

DOS

IR

Vibrations