Geometry & MOs

Info

ID:	240984
PubChem CID:	93618888
Reduced:	ClON4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	2.68
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(7-ethyl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC[C@H](CO)NC1=C(C(=NC=N1)Cl)N

DOS

IR

Vibrations