Geometry & MOs

Info

ID:	298160
PubChem CID:	117647844
Reduced:	O15C34H36 (1)
Stoich.:	A15B34C36 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-605.14
Dipole, Da:	7.51
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-amino-3-[(1,2-dimethylindol-3-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)CCC(=O)O[C@@H]2C[C@@](CC[C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)(C(=O)OC)O)OC(=O)C

DOS

IR

Vibrations