Geometry & MOs

Info

ID:	307224
PubChem CID:	125292612
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	50.43
Dipole, Da:	5.77
IP(EA), eV:	-9.44(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-6-methyl-3H-indol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCSC1=NC(=O)[C@@H](C(=N1)C2=CC=C(C=C2)C)C#N

DOS

IR

Vibrations