Geometry & MOs

Info

ID:	253431
PubChem CID:	103118381
Reduced:	O3N5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	284.057722
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	2.57
IP(EA), eV:	-9.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-pyrazolo[1,5-a]pyrazin-3-yl-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC(=O)N2CCCCC2)CCN

DOS

IR

Vibrations