Geometry & MOs

Info

ID:	359997
PubChem CID:	127300141
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	345.227709
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	3.26
IP(EA), eV:	-9.22(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrazol-3-yl)-1-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)CCN2C=CC=N2)C(=O)N3CCOCC3

DOS

IR

Vibrations