Geometry & MOs

Info

ID:	392728
PubChem CID:	135017759
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	408.095751
ΔH_f, kcal/mol:	-204.08
Dipole, Da:	3.61
IP(EA), eV:	-10.08(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R)-2-(1,3-benzodioxol-5-yl)-8-[(E)-2-nitroethenyl]-2,6-dihydro-1H-furo[3,2-e]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CCC=C)COC(=O)NC(C1CCCC1)C(=O)OC

DOS

IR

Vibrations