Geometry & MOs

Info

ID:	370288
PubChem CID:	127337957
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	29.18
Dipole, Da:	6.65
IP(EA), eV:	-8.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC3C4=CC=CC=C4

DOS

IR

Vibrations