Geometry & MOs

Info

ID:	29096
PubChem CID:	831594
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	334.097187
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	3.87
IP(EA), eV:	-9.27(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CC#N)C

DOS

IR

Vibrations