Geometry & MOs

Info

ID:	233561
PubChem CID:	91145458
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	298.184527
ΔH_f, kcal/mol:	-2.8
Dipole, Da:	3.95
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-3,4,5,6-tetramethyl-4H-azepin-7-amine

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=C(C=C(C=C3N2C=N1)OC)C4CCCCC4)C

DOS

IR

Vibrations