Geometry & MOs

Info

ID:	231321
PubChem CID:	87573472
Reduced:	ON5C28H40 (1)
Stoich.:	AB5C28D40 (1)
Weight, g/mol:	349.074868
ΔH_f, kcal/mol:	43.32
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754709
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]pyridin-3-yl]benzonitrile;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C2=CC=C(C=C2)[N+]3(CCNCC3)CC(=O)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations