Geometry & MOs

Info

ID:	283441
PubChem CID:	103981094
Reduced:	N3C17H27 (1)
Stoich.:	A3B17C27 (1)
Weight, g/mol:	324.05857
ΔH_f, kcal/mol:	4.54
Dipole, Da:	2.25
IP(EA), eV:	-8.06(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-4-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)NC3CCCNCC3

DOS

IR

Vibrations