Geometry & MOs

Info

ID:	62685
PubChem CID:	26736147
Reduced:	NO2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	315.102606
ΔH_f, kcal/mol:	8.54
Dipole, Da:	2.49
IP(EA), eV:	-10.19(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) (5S,7R)-3-chloroadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations