Geometry & MOs

Info

ID:	424344
PubChem CID:	135122300
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-169.86
Dipole, Da:	4.23
IP(EA), eV:	-10.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-amino-3-oxo-3-prop-2-enoxypropyl]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)CC3(C2)CCOCC3)C(C)CC(=O)O

DOS

IR

Vibrations