Geometry & MOs

Info

ID:	395989
PubChem CID:	135027161
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	39.87
Dipole, Da:	3.42
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-cyclohexyl-2-nitroethyl]-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)[C@@H](C[N+](=O)[O-])C3=CC(=CC=C3)Cl

DOS

IR

Vibrations