Geometry & MOs

Info

ID:	292826
PubChem CID:	117359663
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	5.54
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-isocyanatocyclopropyl)-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C3C(=CC=C2)NC(=O)N3)N=C=O

DOS

IR

Vibrations