Geometry & MOs

Info

ID:	144836
PubChem CID:	53422316
Reduced:	P2N6O15C21H26 (1)
Stoich.:	A2B6C15D21E26 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-642.85
Dipole, Da:	21.75
IP(EA), eV:	-8.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(6-methoxy-2-benzofuran-1-yl)imidazole

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)[O-]

DOS

IR

Vibrations