Geometry & MOs

Info

ID:	187189
PubChem CID:	77541950
Reduced:	Cl2N3O5H7C14 (1)
Stoich.:	A2B3C5D7E14 (1)
Weight, g/mol:	416.09708
ΔH_f, kcal/mol:	25.84
Dipole, Da:	3.49
IP(EA), eV:	-9.11(-3.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,4-dichlorophenyl)-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]imidazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C1=NC=C(C(=C2C=C(NO2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])C1Cl)Cl

DOS

IR

Vibrations