Geometry & MOs

Info

ID:	320130
PubChem CID:	126658426
Reduced:	OF3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	429.177645
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	6.46
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-ethyl-5-methyl-4H-azepin-6-yl)-5-(trifluoromethyl)phenoxy]-2-methanimidoyl-5-methylpyridazin-3-imine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=C(C=C2)C(F)(F)F)OC3=NN(C(=N)C4=CC=CC=C43)C=N

DOS

IR

Vibrations