Geometry & MOs

Info

ID:	19458
PubChem CID:	564268
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	5.28
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dioxospiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-4-yl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5

DOS

IR

Vibrations