Geometry & MOs

Info

ID:	424313
PubChem CID:	135122165
Reduced:	BrN3O3C9H10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	225.93779
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	2.31
IP(EA), eV:	-9.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyrazin-2-yl)prop-2-ynoic acid

Drug info:

PubChemData

Smile

COCOC1(C=CON1)C2=CN=C(C=N2)Br

DOS

IR

Vibrations