Geometry & MOs

Info

ID:	196008
PubChem CID:	78765592
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	326.115424
ΔH_f, kcal/mol:	-149.39
Dipole, Da:	6.02
IP(EA), eV:	-9.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-oxo-4-phenylbutanoyl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC(=O)CCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations