Geometry & MOs

Info

ID:	84443
PubChem CID:	49866451
Reduced:	ClO2N5H10C17 (1)
Stoich.:	AB2C5D10E17 (1)
Weight, g/mol:	133.110279
ΔH_f, kcal/mol:	156.16
Dipole, Da:	4.26
IP(EA), eV:	-9.78(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-aminohexane-1,1-diol

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl)N=N1

DOS

IR

Vibrations