Geometry & MOs

Info

ID:	323705
PubChem CID:	126675774
Reduced:	F2O3N6H22C26 (1)
Stoich.:	A2B3C6D22E26 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	6.06
IP(EA), eV:	-9.95(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyliminomethyl)prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CN6C(=NC=N6)C=C5

DOS

IR

Vibrations