Geometry & MOs

Info

ID:	310678
PubChem CID:	126584246
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	5.79
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-methyl-7-phenyl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C=CC1=C2C(=CC=C1)C(=CN2)CCC(=O)O

DOS

IR

Vibrations