Geometry & MOs

Info

ID:	225325
PubChem CID:	85756477
Reduced:	O2F3N3H12C17 (1)
Stoich.:	A2B3C3D12E17 (1)
Weight, g/mol:	282.067224
ΔH_f, kcal/mol:	-156.99
Dipole, Da:	8.32
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azido-5-chloro-N-phenyl-N-prop-2-ynylaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations