Geometry & MOs

Info

ID:	62683
PubChem CID:	26736142
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	327.089543
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	4.29
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 4-benzoylbenzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C#N

DOS

IR

Vibrations