Geometry & MOs

Info

ID:	146759
PubChem CID:	53745305
Reduced:	S5O6N7C17H17 (1)
Stoich.:	A5B6C7D17E17 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	8.31
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-4-ol

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N)N1O)C(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)SC)C(=O)O

DOS

IR

Vibrations