Geometry & MOs

Info

ID:	208687
PubChem CID:	80566804
Reduced:	SN2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	46.72
Dipole, Da:	1.44
IP(EA), eV:	-8.27(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-2-oxoethyl)-2,3-dihydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC2CNC3=CC=CC=C23

DOS

IR

Vibrations