Geometry & MOs

Info

ID:	187237
PubChem CID:	77548956
Reduced:	N3O4H24C29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	384.121625
ΔH_f, kcal/mol:	21.56
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137118
Charge, e:	0

Chem-info

IUPAC name:

1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CC12CCC(O1)C3C2C(=O)[N+](C3=O)(CCOC4=CC=CC(=C4)C#N)C5=CC=C(C6=CC=CC=C65)C#N

DOS

IR

Vibrations