Geometry & MOs

Info

ID:	225328
PubChem CID:	85756480
Reduced:	O2F3N3H12C17 (1)
Stoich.:	A2B3C3D12E17 (1)
Weight, g/mol:	296.082874
ΔH_f, kcal/mol:	-156.48
Dipole, Da:	3.5
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azido-N-but-2-ynyl-5-chloro-N-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations