Geometry & MOs

Info

ID:	79956
PubChem CID:	49831815
Reduced:	PN4O12C14H23 (1)
Stoich.:	AB4C12D14E23 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-573.8
Dipole, Da:	5.16
IP(EA), eV:	-9.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydroxyphenyl)pentanoic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([C@@H]([C@@H]([C@H](COC(=O)N)O)O)N)O)O)O

DOS

IR

Vibrations