Geometry & MOs

Info

ID:	322856
PubChem CID:	126671465
Reduced:	O3N7C38H49 (1)
Stoich.:	A3B7C38D49 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	4.18
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(cyclopentyloxymethyl)phenyl]hex-5-yn-1-ol

Drug info:

PubChemData

Smile

CC1CN(CC(N1CCO)C)C(C)C2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations