Geometry & MOs

Info

ID:	395988
PubChem CID:	135027158
Reduced:	NO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	4.64
IP(EA), eV:	-9.0(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations