Geometry & MOs

Info

ID:	45844
PubChem CID:	10518181
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	76.7
Dipole, Da:	4.83
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,5-dihydro-1H-imidazol-2-yl)-2-iminobenzimidazol-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)/C=N/C1=C(C(=NN1)NCC2=CC=C(C=C2)OC)C#N

DOS

IR

Vibrations