Geometry & MOs

Info

ID:	27319
PubChem CID:	820596
Reduced:	SN2O2C9H14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-80.62
Dipole, Da:	5.87
IP(EA), eV:	-9.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-oxo-4-propylchromene-6-carbaldehyde

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)NC(=N2)SCC(=O)O

DOS

IR

Vibrations