Geometry & MOs

Info

ID:	370132
PubChem CID:	127337503
Reduced:	SO2N3C15H29 (1)
Stoich.:	AB2C3D15E29 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	-100.56
Dipole, Da:	5.09
IP(EA), eV:	-8.48(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylpyrazol-4-yl)methyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCS(=O)C(C2C)C

DOS

IR

Vibrations