Geometry & MOs

Info

ID:	221429
PubChem CID:	85273685
Reduced:	NOSC18H29 (1)
Stoich.:	ABCD18E29 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	6.81
IP(EA), eV:	-7.88(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[2-(2-nitrophenyl)-2-oxoethylidene]indol-3-one

Drug info:

PubChemData

Smile

CCCCCCC(=CS(=O)C1=CC=CC=C1)N(CC)CC

DOS

IR

Vibrations