Geometry & MOs

Info

ID:	54568
PubChem CID:	17388916
Reduced:	ClNF3O3H15C21 (1)
Stoich.:	ABC3D3E15F21 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-210.07
Dipole, Da:	9.18
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations