Geometry & MOs

Info

ID:	414076
PubChem CID:	135087030
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	3.86
IP(EA), eV:	-8.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(7-methyl-1H-indol-3-yl)butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CN(C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations