Geometry & MOs

Info

ID:	146205
PubChem CID:	53650721
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	437.148789
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	2.84
IP(EA), eV:	-8.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(1-methylimidazol-2-yl)anilino]-phenylmethylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCCC1COC(OC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)C

DOS

IR

Vibrations