Geometry & MOs

Info

ID:	59196
PubChem CID:	24775715
Reduced:	F2O2N3H15C22 (1)
Stoich.:	A2B2C3D15E22 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN=CO2)C3=CN=C(C=C3)NC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations