Geometry & MOs

Info

ID:	441999
PubChem CID:	135247664
Reduced:	F3O7C33H37 (1)
Stoich.:	A3B7C33D37 (1)
Weight, g/mol:	115.063329
ΔH_f, kcal/mol:	-395.19
Dipole, Da:	2.55
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aziridin-1-yl)ethyl formate

Drug info:

PubChemData

Smile

COCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations