Geometry & MOs

Info

ID:	182446
PubChem CID:	76890965
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	308.05243
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	7.04
IP(EA), eV:	-9.61(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bromo(phenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCCCCC(C1=CC2=NC(=O)C(=O)N=C2C=C1)Br

DOS

IR

Vibrations