Geometry & MOs

Info

ID:	436962
PubChem CID:	135213350
Reduced:	ClNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	268.04365
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	3.97
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-iodoethyl]-3,3-dimethylpiperazine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1([C@H]2CCC(C=C2)C3=C1C4=C(N3)C=CC(=C4)Cl)C

DOS

IR

Vibrations