Geometry & MOs

Info

ID:	286235
PubChem CID:	104163966
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	260.061949
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	7.45
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-thiazol-4-ylmethyl)-2,3-dihydroindole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)CN1CCC2=C1C=C(C=C2)C(=O)O

DOS

IR

Vibrations