Geometry & MOs

Info

ID:	292568
PubChem CID:	116933603
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-12.44
Dipole, Da:	2.83
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-diamino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)C(CC(C)(C)N)N

DOS

IR

Vibrations