Geometry & MOs

Info

ID:	171977
PubChem CID:	75449324
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	331.133907
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	1.77
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenoxy)propyl]-1,3,4,5-tetrahydro-2-benzazepin-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN(C=C3)C)C

DOS

IR

Vibrations