Geometry & MOs

Info

ID:	228241
PubChem CID:	87563725
Reduced:	O2H4F6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	-364.74
Dipole, Da:	1.87
IP(EA), eV:	-10.55(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[(E)-3-[ethyl(1H-indol-3-yl)amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC(F)(F)F)C(F)(F)F)C=O

DOS

IR

Vibrations