Geometry & MOs

Info

ID:	147689
PubChem CID:	53787346
Reduced:	O2S2N3C11H19 (1)
Stoich.:	A2B2C3D11E19 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	4.44
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl)phenol

Drug info:

PubChemData

Smile

CCCCCCC(C1=CSC(=C1)S(=O)(=O)N)N=N

DOS

IR

Vibrations