Geometry & MOs

Info

ID:	438193
PubChem CID:	135227885
Reduced:	FN6H19C24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	386.221895
ΔH_f, kcal/mol:	126.0
Dipole, Da:	6.28
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyltriazol-4-yl)-2-N-[(2E,4Z)-2-methyl-1-pyridin-2-ylhepta-2,4,6-trienyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=CN=C3C=C2)N(C4=CC=CC=C4)C5=C(C=CC=N5)F

DOS

IR

Vibrations