Geometry & MOs

Info

ID:	338816
PubChem CID:	127259827
Reduced:	NH17C18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	119.03
Dipole, Da:	5.01
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)ethyl 4-phenylbutanoate

Drug info:

PubChemData

Smile

CCCCC#C/C=C/C#CC1=CC=C(C=C1)CC#N

DOS

IR

Vibrations