Geometry & MOs

Info

ID:	398476
PubChem CID:	135033462
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	327.10464
ΔH_f, kcal/mol:	-181.99
Dipole, Da:	3.25
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-1-enyl]aniline

Drug info:

PubChemData

Smile

CC1CC(C2=C(C3=CC=CC=C3N2C1=O)C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations