Geometry & MOs

Info

ID:	392532
PubChem CID:	135017078
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	4.47
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(1S,2R)-2-nitrocyclopentyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2(C1(C(=C2C(=O)OC)C3=CC=C(C=C3)C#CC(=O)OC)C)C)C

DOS

IR

Vibrations