Geometry & MOs

Info

ID:	307633
PubChem CID:	125307849
Reduced:	N3O6C27H35 (1)
Stoich.:	A3B6C27D35 (1)
Weight, g/mol:	159.96361
ΔH_f, kcal/mol:	-181.77
Dipole, Da:	7.97
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-4H-imidazole

Drug info:

PubChemData

Smile

CCN(CC)CCN1[C@H](/C(=C(/C2=C(C(=N[C@@H]2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations