Geometry & MOs

Info

ID:	370050
PubChem CID:	127337278
Reduced:	ON8C19H28 (1)
Stoich.:	AB8C19D28 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	25.39
Dipole, Da:	7.37
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(dimethylamino)cycloheptyl]methyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC3=NN=C4N3CCCCC4

DOS

IR

Vibrations