Geometry & MOs

Info

ID:	405002
PubChem CID:	135072114
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	319.093247
ΔH_f, kcal/mol:	6.79
Dipole, Da:	2.15
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azido-4-methoxy-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

Drug info:

PubChemData

Smile

CN(C1=C(C=CC=N1)Br)C(=O)C2=CC3=C(N2)CCCC3

DOS

IR

Vibrations