Geometry & MOs

Info

ID:	45558
PubChem CID:	10514881
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	7.98
IP(EA), eV:	-10.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(acetamidomethyl)phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCC(=O)O

DOS

IR

Vibrations