Geometry & MOs

Info

ID:	268377
PubChem CID:	103599166
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	6.11
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Cl)NC(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations