Geometry & MOs

Info

ID:	320253
PubChem CID:	126659009
Reduced:	OC8H16 (2)
Stoich.:	AB8C16 (2)
Weight, g/mol:	527.278407
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	1.93
IP(EA), eV:	-10.49(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylpentan-2-yl 2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)OC(=O)C(CCCC)CCCC

DOS

IR

Vibrations