Geometry & MOs

Info

ID:	399251
PubChem CID:	135039171
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-156.28
Dipole, Da:	4.44
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-2-nitrohex-5-en-3-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C=C(C=C2OCC=C)OCOC

DOS

IR

Vibrations