Geometry & MOs

Info

ID:	292825
PubChem CID:	117359660
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	15.8
Dipole, Da:	5.14
IP(EA), eV:	-8.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyanatocyclopentyl)-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CNC2=C1C=C(C=C2OC)C3=CC(=NO3)N

DOS

IR

Vibrations