Geometry & MOs

Info

ID:	348493
PubChem CID:	127273604
Reduced:	BrON5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	71.32
Dipole, Da:	9.38
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations