Geometry & MOs

Info

ID:	406926
PubChem CID:	135078943
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	418.250795
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	2.98
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-tert-butyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]but-3-yn-2-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=C=CCN(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations