Geometry & MOs

Info

ID:	343106
PubChem CID:	127266279
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	57.62
Dipole, Da:	6.42
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NCC2=CC(=CN=C2)OC)C#N

DOS

IR

Vibrations