Geometry & MOs

Info

ID:	397732
PubChem CID:	135030641
Reduced:	FN2H11C18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	66.69
Dipole, Da:	4.46
IP(EA), eV:	-9.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=C(C=C2)F)C#N)C3=CC=CC=N3

DOS

IR

Vibrations