Geometry & MOs

Info

ID:	47796
PubChem CID:	10535360
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	180.095742
ΔH_f, kcal/mol:	-143.1
Dipole, Da:	3.02
IP(EA), eV:	-10.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-(113C)methyl-(413C,1,3-15N2)4,5-dihydroimidazol-2-yl)phenol

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([NH2+]1)C(=O)O.[Cl-]

DOS

IR

Vibrations