Geometry & MOs

Info

ID:	310620
PubChem CID:	126583900
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	11.04
IP(EA), eV:	-9.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(6-methyl-4-nitro-1H-indol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC=C2CCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations