Geometry & MOs

Info

ID:	186586
PubChem CID:	77449154
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	466.186572
ΔH_f, kcal/mol:	160.52
Dipole, Da:	2.08
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[5-(6-carbamimidoyl-1,6-dihydrobenzimidazol-2-ylidene)-1-methyl-4-oxopyrazol-3-yl]phenyl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2CC34C1CN3CC(C4)C2OC5=NN=C(S5)C6=CC=CC=C6

DOS

IR

Vibrations