Geometry & MOs

Info

ID:	370137
PubChem CID:	127337508
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-30.67
Dipole, Da:	1.78
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations