Geometry & MOs

Info

ID:	413686
PubChem CID:	135086635
Reduced:	ClN2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	36.0
Dipole, Da:	4.1
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-2-[(4-methoxyphenyl)methylidene]indol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations