Geometry & MOs

Info

ID:	138323
PubChem CID:	52348276
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	0.23
Dipole, Da:	5.69
IP(EA), eV:	-9.34(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclooctyl-3-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]urea

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)NCC=C)CN1C=CC=N1

DOS

IR

Vibrations