Geometry & MOs

Info

ID:	359836
PubChem CID:	127299880
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	22.48
Dipole, Da:	4.01
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations