Geometry & MOs

Info

ID:	391456
PubChem CID:	135005384
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	1.74
IP(EA), eV:	-9.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-(2-methoxypropan-2-yl)-3-phenylcyclopent-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C(=NC(=N1)/C(=C/C2=CC=CC=C2)/C#C)N)C(=O)OCC

DOS

IR

Vibrations