Geometry & MOs

Info

ID:	296237
PubChem CID:	117562161
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	9.42
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylanilino)-1H-indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCCNC1=C(C2=CC=CC=C2N1)C(=O)O

DOS

IR

Vibrations