Geometry & MOs

Info

ID:	188048
PubChem CID:	77660985
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	306.106316
ΔH_f, kcal/mol:	-203.34
Dipole, Da:	1.84
IP(EA), eV:	-8.49(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)N

DOS

IR

Vibrations