Geometry & MOs

Info

ID:	81424
PubChem CID:	49854710
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	513.262757
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	3.17
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5CO

DOS

IR

Vibrations