Geometry & MOs

Info

ID:	168686
PubChem CID:	75002460
Reduced:	ClO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	415.0103
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	2.49
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-[(5-iodothiophen-2-yl)methylidene]-7-azatricyclo[4.3.1.03,7]decane-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C1=CC=NC=C1)N2C(=O)C3C(C(=O)N2)NC4CC(CCC4C3=O)Cl

DOS

IR

Vibrations