Geometry & MOs

Info

ID:	233134
PubChem CID:	87692514
Reduced:	F3N4O6H29C31 (1)
Stoich.:	A3B4C6D29E31 (1)
Weight, g/mol:	499.115587
ΔH_f, kcal/mol:	-304.75
Dipole, Da:	5.24
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C1=CC(=CN=C1)OCC(F)(F)F)/N2C=CC3=C2C=CC(=C3)OCCC4=NC5=C(CCCN5C(=O)O)C=C4

DOS

IR

Vibrations