Geometry & MOs

Info

ID:	53793
PubChem CID:	14717945
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	168.042259
ΔH_f, kcal/mol:	37.58
Dipole, Da:	3.53
IP(EA), eV:	-9.42(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-dihydroxyethyl)cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@H](N=C3C=C(C=CC3=N2)C[C@H](C(=O)O)N)C4=CC=CC=C4

DOS

IR

Vibrations