Geometry & MOs

Info

ID:	397289
PubChem CID:	135030001
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	2.37
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-3-oxo-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=C2C=C1OC)C(=O)O)C

DOS

IR

Vibrations