Geometry & MOs

Info

ID:	370297
PubChem CID:	127337974
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	388.204531
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	2.87
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations