Geometry & MOs

Info

ID:	432211
PubChem CID:	135172343
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	410.254258
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	2.39
IP(EA), eV:	-8.69(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[amino(methyl)amino]-1-N-[6-(2-ethoxypyridin-3-yl)-1-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]prop-2-ene-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCN(C1)CCCC(=C)C

DOS

IR

Vibrations