Geometry & MOs

Info

ID:	359555
PubChem CID:	127298829
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	3.74
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-methyl-3-[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N4CC5(CC4CC(C5)(C)C)C

DOS

IR

Vibrations