Geometry & MOs

Info

ID:	254800
PubChem CID:	103127776
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	6.52
Dipole, Da:	3.14
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonylcyclohexyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(C2=C3C=CC=CN3N=C2)N)OC

DOS

IR

Vibrations