Geometry & MOs

Info

ID:	432189
PubChem CID:	135172321
Reduced:	I2N3H11C19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	409.222623
ΔH_f, kcal/mol:	164.47
Dipole, Da:	5.65
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-2-N-methyl-4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylpropanimidoyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=NC4=C(N23)C=CC=C4I)C5=CC(=CC=C5)I

DOS

IR

Vibrations