Geometry & MOs

Info

ID:	187239
PubChem CID:	77548958
Reduced:	SN3O5C27H33 (1)
Stoich.:	AB3C5D27E33 (1)
Weight, g/mol:	330.149891
ΔH_f, kcal/mol:	-141.72
Dipole, Da:	7.05
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-indol-1-yl-3-(methylamino)-1-(4-methylphenyl)propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CN(C3CCCCC3O)S(=O)(=O)C4=CC5=C(C=C4)N(CCO5)C)C

DOS

IR

Vibrations