Geometry & MOs

Info

ID:	81422
PubChem CID:	49854708
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	597.356657
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	2.43
IP(EA), eV:	-8.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(C4=C(O3)C=C(C=C4)OC)C(=O)O2

DOS

IR

Vibrations