Geometry & MOs

Info

ID:	341468
PubChem CID:	127264161
Reduced:	ON2F3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	205.017353
ΔH_f, kcal/mol:	-162.26
Dipole, Da:	4.24
IP(EA), eV:	-8.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)pyridine-2-carbonitrile;dihydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2[C@H](C(F)(F)F)N

DOS

IR

Vibrations