Geometry & MOs

Info

ID:	368460
PubChem CID:	127328745
Reduced:	SO3N6C17H30 (1)
Stoich.:	AB3C6D17E30 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-122.35
Dipole, Da:	6.58
IP(EA), eV:	-9.34(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations