Geometry & MOs

Info

ID:	372856
PubChem CID:	131306023
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	279.98474
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	2.7
IP(EA), eV:	-8.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-amino-6-bromo-4-cyano-2,3-dihydroindene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC2=C1C=CC=C2OC)N

DOS

IR

Vibrations