Geometry & MOs

Info

ID:	186064
PubChem CID:	77385759
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	174.052823
ΔH_f, kcal/mol:	-165.11
Dipole, Da:	6.44
IP(EA), eV:	-7.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=O)OCCCC(=O)NC2=C(C=C(C=C2)N)N)OC

DOS

IR

Vibrations