Geometry & MOs

Info

ID:	398720
PubChem CID:	135035040
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	2.81
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3-amino-2-chloroprop-2-enylidene)-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(=O)OC(CC#CC1=C(C=C(C=C1)OC)C=O)C(C)(C)CC=C

DOS

IR

Vibrations