Geometry & MOs

Info

ID:	400113
PubChem CID:	135045590
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	5.19
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3-amino-2-chloroprop-2-enylidene)-5-methoxy-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC=C1C2=CN=CN=C2

DOS

IR

Vibrations