Geometry & MOs

Info

ID:	294078
PubChem CID:	117426462
Reduced:	FNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-154.79
Dipole, Da:	3.16
IP(EA), eV:	-8.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(1-isocyanatocyclopropyl)-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C(=C1)F)C2CNCCO2)OC

DOS

IR

Vibrations