Geometry & MOs

Info

ID:	310653
PubChem CID:	126584120
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	6.33
IP(EA), eV:	-8.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1,2-dimethyl-5-pyridin-4-ylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C(=CC=C2)C3=CC=CC=C3)CCC(=O)O

DOS

IR

Vibrations