Geometry & MOs

Info

ID:	438268
PubChem CID:	135227996
Reduced:	BrN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	278.159455
ΔH_f, kcal/mol:	60.55
Dipole, Da:	4.71
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-2-butan-2-yl-3-fluoro-1-(3-fluoropyridin-2-yl)hepta-2,4,6-trien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=C(C=CC(=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations