Geometry & MOs

Info

ID:	170949
PubChem CID:	75305315
Reduced:	F3O4N5H14C18 (1)
Stoich.:	A3B4C5D14E18 (1)
Weight, g/mol:	382.115127
ΔH_f, kcal/mol:	-125.28
Dipole, Da:	10.98
IP(EA), eV:	-9.91(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=NC=C(C=N3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations