Geometry & MOs

Info

ID:	370105
PubChem CID:	127337437
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	370.222957
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	5.63
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NCCC3CC4CCC3C4

DOS

IR

Vibrations