Geometry & MOs

Info

ID:	218064
PubChem CID:	85088810
Reduced:	F3N3O4C20H22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	425.181451
ΔH_f, kcal/mol:	-272.51
Dipole, Da:	4.83
IP(EA), eV:	-10.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)CC(C=C)NC(=O)CCCN(C1=CC=C(C=C1)C#N)C(=O)C(F)(F)F

DOS

IR

Vibrations