Geometry & MOs

Info

ID:	432219
PubChem CID:	135172351
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	407.243359
ΔH_f, kcal/mol:	36.59
Dipole, Da:	4.39
IP(EA), eV:	-7.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-2-N-methyl-3-(2-methylpropanimidoyl)-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NN3C(=NC(=C3C(=C2)NC/C(=C(/N=C)\OC)/C=C\C)C(C)C)C

DOS

IR

Vibrations