Geometry & MOs

Info

ID:	288534
PubChem CID:	104318964
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	4.77
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl 2-(2-aminophenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCCC(C)O)N

DOS

IR

Vibrations