Geometry & MOs

Info

ID:	300433
PubChem CID:	121280971
Reduced:	N2O6C21H36 (1)
Stoich.:	A2B6C21D36 (1)
Weight, g/mol:	357.97198
ΔH_f, kcal/mol:	-332.76
Dipole, Da:	4.49
IP(EA), eV:	-9.58(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[2-(4-chlorophenoxy)ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1(CCCCC1)NC(=O)OC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations