Geometry & MOs

Info

ID:	297221
PubChem CID:	117613485
Reduced:	SN3O9C13H21 (1)
Stoich.:	AB3C9D13E21 (1)
Weight, g/mol:	462.224261
ΔH_f, kcal/mol:	-305.26
Dipole, Da:	7.35
IP(EA), eV:	-10.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CONC(=O)[C@@H]1CCC2CN1C(=O)N2OS(=O)(=O)O

DOS

IR

Vibrations