Geometry & MOs

Info

ID:	184619
PubChem CID:	77184053
Reduced:	BO5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	488.245497
ΔH_f, kcal/mol:	-300.46
Dipole, Da:	2.68
IP(EA), eV:	-10.13(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-(2-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]but-3-enyl]carbamate

Drug info:

PubChemData

Smile

B1(OC2C3CC(C3(C)C)CC2(O1)C)CCCC(CC(=O)OC(C)(C)C)O

DOS

IR

Vibrations