Geometry & MOs

Info

ID:	221956
PubChem CID:	85292963
Reduced:	NO3H25C27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	412.275734
ΔH_f, kcal/mol:	88.94
Dipole, Da:	7.02
IP(EA), eV:	-7.73(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-[[tert-butyl(dimethyl)silyl]methylidene]-1-(dimethylamino)azepane-4,4-dicarboxylate

Drug info:

PubChemData

Smile

C1C#CC=CC#CC2C(=O)C1C3=CC=CC=C3N2C(=O)OC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations