Geometry & MOs

Info

ID:	254672
PubChem CID:	103126858
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	336.00443
ΔH_f, kcal/mol:	-131.13
Dipole, Da:	5.78
IP(EA), eV:	-9.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

Drug info:

PubChemData

Smile

CCOCC(CN1C(=C(N=N1)C(=O)OC)C2CCCN2)O

DOS

IR

Vibrations