Geometry & MOs

Info

ID:	257386
PubChem CID:	103145683
Reduced:	NSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	10.01
Dipole, Da:	0.74
IP(EA), eV:	-8.15(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-4-nitrophenyl)-6,7-dihydro-5H-indol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)C)C2=C(C=C(S2)C)C

DOS

IR

Vibrations