Geometry & MOs

Info

ID:	291595
PubChem CID:	113446351
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	92.41
Dipole, Da:	3.58
IP(EA), eV:	-8.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)NC2=NC=CN3C2=CC=N3

DOS

IR

Vibrations