Geometry & MOs

Info

ID:	375586
PubChem CID:	134214032
Reduced:	ClF3N3O3C22H23 (1)
Stoich.:	AB3C3D3E22F23 (1)
Weight, g/mol:	271.00693
ΔH_f, kcal/mol:	-251.86
Dipole, Da:	7.12
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(iodomethyl)-1,3-dioxolan-2-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)NC(=O)N2CCC(=CC2)C3=C(C=C(C=N3)CCO)Cl)OC(F)(F)F

DOS

IR

Vibrations