Geometry & MOs

Info

ID:	375934
PubChem CID:	134221930
Reduced:	ClON2F6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	399.051687
ΔH_f, kcal/mol:	-323.42
Dipole, Da:	2.83
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethylidene)-N'-[4-[(E)-3-(2,3-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC=C(C=C2)NNC(=O)CC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations