Geometry & MOs

Info

ID:	194209
PubChem CID:	78497572
Reduced:	FNO3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	249.123917
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	6.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025342
Charge, e:	-1

Chem-info

IUPAC name:

3-phenyl-2-(propan-2-ylcarbamoylamino)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3CCCCC3(CC[NH+]2CC4=CC(=CC=C4)F)O)OC

DOS

IR

Vibrations