Geometry & MOs

Info

ID:	187241
PubChem CID:	77549433
Reduced:	SN2O4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	330.149891
ΔH_f, kcal/mol:	-175.57
Dipole, Da:	6.22
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C1(C)C)(C)C(=O)NC2=C(C3=C(S2)COCC3)C(=O)N4CCOCC4

DOS

IR

Vibrations