Geometry & MOs

Info

ID:	6497
PubChem CID:	68762
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	2.61
IP(EA), eV:	-8.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CC(COC3(CCCCC3)C#C)O

DOS

IR

Vibrations