Geometry & MOs

Info

ID:	342539
PubChem CID:	127265694
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	3.27
IP(EA), eV:	-8.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-2-(2-methylpropyl)-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CCN2CCCC3(C2)OCCO3

DOS

IR

Vibrations