Geometry & MOs

Info

ID:	197173
PubChem CID:	78932312
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)OCCC2=CC=NC=C2)O

DOS

IR

Vibrations