Geometry & MOs

Info

ID:	197196
PubChem CID:	78936213
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	39.88
Dipole, Da:	1.46
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[2-[(1S)-1-aminoethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OCC2=CN3C=CC=CC3=N2)N

DOS

IR

Vibrations