Geometry & MOs

Info

ID:	398353
PubChem CID:	135032922
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	48.5
Dipole, Da:	4.49
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-(4-methoxyphenyl)-1-nitropropan-2-yl]-1H-indole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations