Geometry & MOs

Info

ID:	413398
PubChem CID:	135086347
Reduced:	ClFO2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	312.01235
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	2.73
IP(EA), eV:	-9.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)C=O)Cl

DOS

IR

Vibrations