Geometry & MOs

Info

ID:	291599
PubChem CID:	113446366
Reduced:	ClSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	103.88
Dipole, Da:	2.45
IP(EA), eV:	-8.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrazin-4-amine

Drug info:

PubChemData

Smile

C1=CN2C(=CC=N2)C(=N1)NCC3=CC=C(S3)Cl

DOS

IR

Vibrations