Geometry & MOs

Info

ID:	89766
PubChem CID:	49964418
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	1.63
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)CSC1=NN2C(=O)C3=C(CCN(C3)CC4CCCO4)N=C2S1

DOS

IR

Vibrations