Geometry & MOs

Info

ID:	323600
PubChem CID:	126675552
Reduced:	OF3N7C17H18 (1)
Stoich.:	AB3C7D17E18 (1)
Weight, g/mol:	440.247064
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	5.46
IP(EA), eV:	-8.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[3-(4-methylpiperidin-1-yl)sulfanylphenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations