Geometry & MOs

Info

ID:	321964
PubChem CID:	126667542
Reduced:	ON4C11H14 (2)
Stoich.:	AB4C11D14 (2)
Weight, g/mol:	448.269908
ΔH_f, kcal/mol:	76.71
Dipole, Da:	6.61
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-[3-(methylamino)pyridine-2-carboximidoyl]pyridin-2-yl]benzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C4C(O4)N(C2=O)CC5=NC=CC(=N5)C)C

DOS

IR

Vibrations