Geometry & MOs

Info

ID:	48987
PubChem CID:	11528584
Reduced:	ClN4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	209.045309
ΔH_f, kcal/mol:	65.17
Dipole, Da:	0.93
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-[[acetyl(hydroxy)amino]methyl]cyclopropyl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N)C2=NC(=CC=C2)Cl

DOS

IR

Vibrations