Geometry & MOs

Info

ID:	186294
PubChem CID:	77415943
Reduced:	ClN5O5C31H36 (1)
Stoich.:	AB5C5D31E36 (1)
Weight, g/mol:	200.108026
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	4.24
IP(EA), eV:	-8.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)bicyclo[2.2.1]heptane-2-carbonitrile;hydrochloride

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CCN(CC(COC3=CC=CC=C3OCC4=CC=CC=C4)O)C5=CC=CC=C5.Cl

DOS

IR

Vibrations