Geometry & MOs

Info

ID:	370201
PubChem CID:	127337715
Reduced:	OSN8C16H20 (1)
Stoich.:	ABC8D16E20 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	79.07
Dipole, Da:	9.25
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)N2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations