Geometry & MOs

Info

ID:	150123
PubChem CID:	53789809
Reduced:	SC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	394.199153
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	2.36
IP(EA), eV:	-8.52(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,5,6,7-tetrapropoxychromen-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C)(C)SCC1=CC=CC=C1

DOS

IR

Vibrations