Geometry & MOs

Info

ID:	370252
PubChem CID:	127337919
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	7.01
IP(EA), eV:	-8.39(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(2-methylcyclohexyl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CC4CC5CC(C4)CC3C5

DOS

IR

Vibrations