Geometry & MOs

Info

ID:	222525
PubChem CID:	85305407
Reduced:	IO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	359.173273
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	4.63
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzoyl-3-(1,4-dioxaspiro[4.5]decan-3-yl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(CC(=O)OC1CI)C2=CC=CC=C2

DOS

IR

Vibrations