Geometry & MOs

Info

ID:	127069
PubChem CID:	50989620
Reduced:	ON3C7H17 (1)
Stoich.:	AB3C7D17 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	2.26
IP(EA), eV:	-8.79(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-benzyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](CN)N

DOS

IR

Vibrations