Geometry & MOs

Info

ID:	167731
PubChem CID:	74866200
Reduced:	OF3N4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	3.95
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-2-phenylbutyl)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CN(CCC(=NO)N)C1=NC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations