Geometry & MOs

Info

ID:	448149
PubChem CID:	135288845
Reduced:	F2N2O4H36C37 (1)
Stoich.:	A2B2C4D36E37 (1)
Weight, g/mol:	278.154976
ΔH_f, kcal/mol:	-180.87
Dipole, Da:	7.27
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-(1H-indol-3-yl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C(=C1C(C(=O)OC)OC(C)(C)C)C3=CC(=C4C(=C3C)CCCO4)F)C5=CC=CC(=C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations