Geometry & MOs

Info

ID:	128197
PubChem CID:	51034610
Reduced:	N3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	479.170828
ΔH_f, kcal/mol:	168.86
Dipole, Da:	6.69
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3E)-3-[2-methyl-1-[4-(trifluoromethyl)phenyl]propylidene]-2-oxoindol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC#N)N2C=C(C=N2)C3=CN=NC4=C3C=CN4

DOS

IR

Vibrations