Geometry & MOs

Info

ID:	433137
PubChem CID:	135173274
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	2.15
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-amino-3-hydrazinylprop-2-enoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)C3=CC=CN3)N=C1N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations