Geometry & MOs

Info

ID:	232042
PubChem CID:	87575255
Reduced:	NPO6C38H72 (1)
Stoich.:	ABC6D38E72 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-442.93
Dipole, Da:	2.43
IP(EA), eV:	-9.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-methoxy-4-methyl-5-(methylamino)chromen-2-one

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)C(CN)OP(=O)(O)OC(=O)CCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations