Geometry & MOs

Info

ID:	370106
PubChem CID:	127337438
Reduced:	ON8C18H26 (1)
Stoich.:	AB8C18D26 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	36.21
Dipole, Da:	6.6
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NCC3=NN=C4N3CCCC4

DOS

IR

Vibrations