Geometry & MOs

Info

ID:	399346
PubChem CID:	135039781
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	1.86
IP(EA), eV:	-9.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-[methyl(prop-2-enyl)amino]-4-phenylbut-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=CC=C(C=C1)[C@H]2C[C@@H](C=C2)O

DOS

IR

Vibrations