Geometry & MOs

Info

ID:	383344
PubChem CID:	134975015
Reduced:	O5C10H12 (1)
Stoich.:	A5B10C12 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-181.05
Dipole, Da:	5.14
IP(EA), eV:	-10.31(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-5-methylidene-1,2,4,6-tetrahydroazepino[4,5-b]indole

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H](C2C=CC1O2)OC(=O)C

DOS

IR

Vibrations