Geometry & MOs

Info

ID:	48243
PubChem CID:	10538191
Reduced:	OSN3H9C12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	104.35
Dipole, Da:	4.72
IP(EA), eV:	-8.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-10-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)N

DOS

IR

Vibrations