Geometry & MOs

Info

ID:	28900
PubChem CID:	830464
Reduced:	ClN3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	61.39
Dipole, Da:	4.61
IP(EA), eV:	-8.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-4,5-dicyano-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations