Geometry & MOs

Info

ID:	171298
PubChem CID:	75356393
Reduced:	FNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	3.69
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)O)NCCO

DOS

IR

Vibrations