Geometry & MOs

Info

ID:	338757
PubChem CID:	127259768
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-148.27
Dipole, Da:	4.85
IP(EA), eV:	-8.62(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-1-hydroxy-4-oxobutyl) 2-phenylacetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(C2CCCCC2O)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations