Geometry & MOs

Info

ID:	419233
PubChem CID:	135107808
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	6.85
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(5-propylfuran-2-yl)methyl]piperazin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CNN=C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations