Geometry & MOs

Info

ID:	287994
PubChem CID:	104305840
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	1.65
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[3-(3-hydroxypropyl)phenyl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)F)N)CCCO

DOS

IR

Vibrations