Geometry & MOs

Info

ID:	438219
PubChem CID:	135227913
Reduced:	Cl2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	407.167
ΔH_f, kcal/mol:	122.46
Dipole, Da:	7.14
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[bis(3-fluoropyridin-2-yl)methyl]-4-(3,5-dimethyltriazol-4-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations