Geometry & MOs

Info

ID:	310661
PubChem CID:	126584160
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	11.46
IP(EA), eV:	-9.34(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-1-methyl-7-nitroindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C(=CN3)CCC(=O)O

DOS

IR

Vibrations