Geometry & MOs

Info

ID:	48921
PubChem CID:	11528480
Reduced:	NOH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	5.67
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC=C(O2)C(=O)N

DOS

IR

Vibrations