Geometry & MOs

Info

ID:	395485
PubChem CID:	135025578
Reduced:	NH19C20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	104.27
Dipole, Da:	1.31
IP(EA), eV:	-9.04(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2,2-dimethyl-3,5-dioxo-7-phenylhept-6-enoate

Drug info:

PubChemData

Smile

C=CCN1CCC2=CC=CC=C2C1C#CC3=CC=CC=C3

DOS

IR

Vibrations