Geometry & MOs

Info

ID:	232890
PubChem CID:	87577424
Reduced:	ClON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	436.04479
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	3.88
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-fluoro-N-(1H-indol-3-yl)-6-iodo-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=C1C)CN2C[C@H](C3=C2N=C(N=C3Cl)N)CC(=O)N)C

DOS

IR

Vibrations