Geometry & MOs

Info

ID:	163449
PubChem CID:	57967765
Reduced:	N5H33C54 (1)
Stoich.:	A5B33C54 (1)
Weight, g/mol:	246.980538
ΔH_f, kcal/mol:	303.97
Dipole, Da:	3.12
IP(EA), eV:	-8.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cobalt;ethynyl (Z)-3-hydroxy-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(N2C3=CC4=C(C5=CC=CC=C5C(=C4C=C3)C6=NC7=C(C=CC8=C7N=CC=C8)C=C6)C9=NC1=C(C=CC2=C1N=CC=C2)C=C9)C1=CC=CC=C1

DOS

IR

Vibrations