Geometry & MOs

Info

ID:	177424
PubChem CID:	76184286
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	4.47
IP(EA), eV:	-9.47(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=NC=NC3=C2N=CN3CC=C4C(=C(C(=O)O4)O)O

DOS

IR

Vibrations