Geometry & MOs

Info

ID:	181655
PubChem CID:	76770633
Reduced:	ON10H20C25 (1)
Stoich.:	AB10C20D25 (1)
Weight, g/mol:	428.211823
ΔH_f, kcal/mol:	213.51
Dipole, Da:	8.06
IP(EA), eV:	-8.88(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-hex-2-enyl-2-[[3-(1-hydroxy-2-phenylethyl)phenoxy]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=CN=CC(=C1)C2=CC3C(=C4N=C5C=NC=C(C5=N4)C6=CC=CC=N6)NN=C3N=C2

DOS

IR

Vibrations