Geometry & MOs

Info

ID:	186062
PubChem CID:	77385622
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	294.110338
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	5.17
IP(EA), eV:	-9.8(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyphenyl)-1-(3,4,5-trihydroxyoxan-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CCNC1(CC(C2C1C2C(=O)OCC)O)C#N

DOS

IR

Vibrations