Geometry & MOs

Info

ID:	296063
PubChem CID:	117553784
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	5.81
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4,5-dimethyl-1H-imidazol-2-yl)oxetane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2(CCC2)CO)C3=CC=CC=C3Br

DOS

IR

Vibrations