Geometry & MOs

Info

ID:	370187
PubChem CID:	127337663
Reduced:	FON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	4.39
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C3CCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations