Geometry & MOs

Info

ID:	398354
PubChem CID:	135032924
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	270.100442
ΔH_f, kcal/mol:	5.03
Dipole, Da:	5.86
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-(furan-2-yl)-1-nitropropan-2-yl]-1H-indole

Drug info:

PubChemData

Smile

C[C@](C[N+](=O)[O-])(C1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations