Geometry & MOs

Info

ID:	178862
PubChem CID:	76392511
Reduced:	O2N3C12H17 (2)
Stoich.:	A2B3C12D17 (2)
Weight, g/mol:	285.107319
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	6.98
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-(hydroxymethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCN(CCCC)CC1=CC(=CC=C1)C(=O)OCCOCN2C=NC3C2=NC(=NC3=O)N

DOS

IR

Vibrations