Geometry & MOs

Info

ID:	387267
PubChem CID:	134984663
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	3.87
IP(EA), eV:	-9.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 2-O-tert-butyl (6Z)-cyclodec-6-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations