Geometry & MOs

Info

ID:	204555
PubChem CID:	79982811
Reduced:	N3C9H13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	236.082874
ΔH_f, kcal/mol:	65.87
Dipole, Da:	4.62
IP(EA), eV:	-9.11(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-chloropyridin-4-yl)methyl]imidazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C#CCCN1C=C(N=C1)CCN

DOS

IR

Vibrations