Geometry & MOs

Info

ID:	368974
PubChem CID:	127331053
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	6.14
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations