Geometry & MOs

Info

ID:	32032
PubChem CID:	4253788
Reduced:	N2O4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-230.96
Dipole, Da:	4.93
IP(EA), eV:	-9.28(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-cyanophenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(C)(C)CO

DOS

IR

Vibrations