Geometry & MOs

Info

ID:	276280
PubChem CID:	103821907
Reduced:	ClN2O3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-154.88
Dipole, Da:	2.97
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NCCCNC(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations