Geometry & MOs

Info

ID:	370046
PubChem CID:	127337274
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-178.81
Dipole, Da:	4.97
IP(EA), eV:	-9.58(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-adamantyl)-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1COCCC1C(CNC(=O)NC2C3CC4CC(C3)CC2C4)O

DOS

IR

Vibrations