Geometry & MOs

Info

ID:	324512
PubChem CID:	126677790
Reduced:	N5C26H27 (1)
Stoich.:	A5B26C27 (1)
Weight, g/mol:	268.143645
ΔH_f, kcal/mol:	114.65
Dipole, Da:	2.29
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylindazol-6-yl)methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N3C(=CC=C3C)C)CC4=CC5=C(C=C4)C=NN5C)C

DOS

IR

Vibrations