Geometry & MOs

Info

ID:	438298
PubChem CID:	135228030
Reduced:	O2N7H19C21 (1)
Stoich.:	A2B7C19D21 (1)
Weight, g/mol:	389.176422
ΔH_f, kcal/mol:	152.74
Dipole, Da:	6.36
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=C(N=N1)C)C2=CC(=C(N=C2)[N+](=O)[O-])NC(C3=CC=CC=N3)C4=CC=CC=N4

DOS

IR

Vibrations