Geometry & MOs

Info

ID:	370024
PubChem CID:	127337239
Reduced:	ON4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	5.59
IP(EA), eV:	-8.9(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCCC(C3C)C

DOS

IR

Vibrations