Geometry & MOs

Info

ID:	176315
PubChem CID:	76032513
Reduced:	O2N4C7H10 (2)
Stoich.:	A2B4C7D10 (2)
Weight, g/mol:	378.176401
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	6.6
IP(EA), eV:	-10.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3-azidopropyl)triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CCN=[N+]=[N-]

DOS

IR

Vibrations