Geometry & MOs

Info

ID:	254641
PubChem CID:	103126680
Reduced:	BrSN3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	320.086245
ΔH_f, kcal/mol:	90.2
Dipole, Da:	3.1
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]propan-1-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(CC3=CC=C(S3)Br)N

DOS

IR

Vibrations