Geometry & MOs

Info

ID:	438299
PubChem CID:	135228031
Reduced:	FN7H20C21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	96.33
Dipole, Da:	5.44
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyltriazol-4-yl)-2-N-(dipyridin-2-ylmethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C(=C2)F)N)NC(C3=CC=CC=N3)C4=CC=CC=N4

DOS

IR

Vibrations