Geometry & MOs

Info

ID:	227572
PubChem CID:	87562015
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	137.92147
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	4.0
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;prop-1-yne;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NC(=C1)CC2=CC=CC=C2)Br)OC

DOS

IR

Vibrations