Geometry & MOs

Info

ID:	148154
PubChem CID:	53787816
Reduced:	N3O7C25H33 (1)
Stoich.:	A3B7C25D33 (1)
Weight, g/mol:	331.196756
ΔH_f, kcal/mol:	-217.93
Dipole, Da:	3.12
IP(EA), eV:	-9.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(C(C)C)NC(=O)C1=C(N=C(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

DOS

IR

Vibrations