Geometry & MOs

Info

ID:	320241
PubChem CID:	126658923
Reduced:	O2C19H38 (1)
Stoich.:	A2B19C38 (1)
Weight, g/mol:	541.294057
ΔH_f, kcal/mol:	-181.17
Dipole, Da:	1.89
IP(EA), eV:	-10.45(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)C(=O)OC(C)CC

DOS

IR

Vibrations