Geometry & MOs

Info

ID:	269563
PubChem CID:	103617977
Reduced:	NOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	3.97
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=CC=C3S

DOS

IR

Vibrations