Geometry & MOs

Info

ID:	79535
PubChem CID:	49816816
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	1.95
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[(1,4-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1C(=O)C=C(N=C1C2=CC(=CC=C2)Cl)CC

DOS

IR

Vibrations