Geometry & MOs

Info

ID:	310619
PubChem CID:	126583899
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	1.32
IP(EA), eV:	-7.97(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-4-nitro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)NC(C3)O

DOS

IR

Vibrations