Geometry & MOs

Info

ID:	409349
PubChem CID:	135082129
Reduced:	N2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	240.02621
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	2.45
IP(EA), eV:	-8.9(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6,7,8,9-tetrahydro-4H-2-benzazepin-1-amine

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN1C=NCC(=O)OC

DOS

IR

Vibrations