Geometry & MOs

Info

ID:	376079
PubChem CID:	134222082
Reduced:	ClF3N5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	439.057835
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	5.06
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-cyano-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-N-(diaminomethylidene)methanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)N=CN=C(N)N)C#N)C(F)(F)F

DOS

IR

Vibrations