Geometry & MOs

Info

ID:	142312
PubChem CID:	53015427
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	3.27
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-3-(2-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC=C2C(=O)N

DOS

IR

Vibrations