Geometry & MOs

Info

ID:	191104
PubChem CID:	78104305
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	409.233857
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	2.49
IP(EA), eV:	-9.31(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-aminocyclohexyl)amino]-5-[(1-ethyl-4-methylindazol-6-yl)amino]-1,2,4-triazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(CCOCC1=CC=CC=C1)C(C(C)CO)O

DOS

IR

Vibrations