Geometry & MOs

Info

ID:	233459
PubChem CID:	90944581
Reduced:	F3H9C13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	487.166269
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	2.64
IP(EA), eV:	-9.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=CC(=CC(=C2)F)F)F

DOS

IR

Vibrations