Geometry & MOs

Info

ID:	370171
PubChem CID:	127337626
Reduced:	SO2N5C14H23 (1)
Stoich.:	AB2C5D14E23 (1)
Weight, g/mol:	370.222957
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	2.75
IP(EA), eV:	-8.58(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NC2CCC3=NC(=NN3C2)C)C

DOS

IR

Vibrations