Geometry & MOs

Info

ID:	406312
PubChem CID:	135077202
Reduced:	O2N4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	71.06
Dipole, Da:	3.71
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-(3-phenylpropylidene)propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2C(C(=O)NN2/C=C/3\C=NC4=CC=CC=C43)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations