Geometry & MOs

Info

ID:	254675
PubChem CID:	103126871
Reduced:	BrSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	77.36
Dipole, Da:	8.19
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-propyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=C(C=CS1)Br)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations