Geometry & MOs

Info

ID:	50665
PubChem CID:	12013235
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-6.54
Dipole, Da:	3.38
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-[1-(2-methylbut-3-en-2-yloxy)-2-nitroethyl]indole

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2OCC3=CC=CC=C3)C4C1O4

DOS

IR

Vibrations