Geometry & MOs

Info

ID:	310660
PubChem CID:	126584159
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	5.83
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitro-7-phenyl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)CCCO

DOS

IR

Vibrations