Geometry & MOs

Info

ID:	323697
PubChem CID:	126675759
Reduced:	FN8C21H23 (1)
Stoich.:	AB8C21D23 (1)
Weight, g/mol:	302.07952
ΔH_f, kcal/mol:	97.23
Dipole, Da:	2.63
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chlorobenzotriazol-1-yl)methyl]-3-diazenylpyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1C(CNC1CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N)CC5=CC=C(C=C5)F

DOS

IR

Vibrations