Geometry & MOs

Info

ID:	429645
PubChem CID:	135169694
Reduced:	ClO2F3N9H19C23 (1)
Stoich.:	AB2C3D9E19F23 (1)
Weight, g/mol:	305.113982
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	5.59
IP(EA), eV:	-9.73(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3Z)-3-(aminomethylidene)-1,1,1-trifluoropent-4-en-2-ylidene]amino]naphthalen-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F)C5CCC(=O)N5)C

DOS

IR

Vibrations