Geometry & MOs

Info

ID:	339147
PubChem CID:	127260526
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	5.45
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propanoylphenyl)methyl benzoate

Drug info:

PubChemData

Smile

CCCCCCCC#CC1C[C@H](NC1)C(=O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations