Geometry & MOs

Info

ID:	221929
PubChem CID:	85292831
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	398.223699
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	0.97
IP(EA), eV:	-10.18(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)methyl]cyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C=CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations