Geometry & MOs

Info

ID:	138239
PubChem CID:	52332857
Reduced:	FO2N6C18H19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	388.234865
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	3.51
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoacetyl]amino]methyl]cyclohexyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](COC1=CC=C(C=C1)F)NC(=O)NCC2=C(N=CC=C2)N3C=NC=N3

DOS

IR

Vibrations