Geometry & MOs

Info

ID:	344384
PubChem CID:	127267560
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	76.34
Dipole, Da:	6.83
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(5-methoxypyridin-3-yl)piperazin-1-yl]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=C(C=C2)C#N)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations