Geometry & MOs

Info

ID:	129873
PubChem CID:	51074110
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	3.33
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)NCC3=CN=CC=C3)OC

DOS

IR

Vibrations