Geometry & MOs

Info

ID:	227395
PubChem CID:	87561630
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	513.073495
ΔH_f, kcal/mol:	-152.14
Dipole, Da:	0.46
IP(EA), eV:	-8.47(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=C(C(=C1)COC)O)C(C)(C)C)O

DOS

IR

Vibrations