Geometry & MOs

Info

ID:	128609
PubChem CID:	51051946
Reduced:	OCl2N2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	288.090852
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	3.36
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC2=CC=CC=N2)Cl.Cl

DOS

IR

Vibrations