Geometry & MOs

Info

ID:	390021
PubChem CID:	134996645
Reduced:	NPO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	250.058971
ΔH_f, kcal/mol:	-162.03
Dipole, Da:	2.32
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-5-nitro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)N(C)C)C1=CC=CC=C1

DOS

IR

Vibrations