Geometry & MOs

Info

ID:	204552
PubChem CID:	79982622
Reduced:	N3C16H17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	199.132077
ΔH_f, kcal/mol:	70.69
Dipole, Da:	5.64
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-aminoethyl)imidazol-1-yl]ethoxy]ethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=C(N=C3)CCN

DOS

IR

Vibrations