Geometry & MOs

Info

ID:	340888
PubChem CID:	127263323
Reduced:	ClN2O2C4H11 (1)
Stoich.:	AB2C2D4E11 (1)
Weight, g/mol:	260.99199
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	4.13
IP(EA), eV:	-9.91(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(=O)N)N)O.Cl

DOS

IR

Vibrations