Geometry & MOs

Info

ID:	184682
PubChem CID:	77192524
Reduced:	BNO5C20H30 (1)
Stoich.:	ABC5D20E30 (1)
Weight, g/mol:	465.12632
ΔH_f, kcal/mol:	-309.05
Dipole, Da:	5.79
IP(EA), eV:	-8.58(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-[4-bromo-3-(2-methoxyethoxy)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3CC(C(OC3=CC=C2)C(C)(C)C)OC(=O)N

DOS

IR

Vibrations