Geometry & MOs

Info

ID:	449223
PubChem CID:	135296956
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	10.62
IP(EA), eV:	-9.6(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-(5-hydroxy-2-methylpentan-2-yl)hydrazinyl]prop-2-enoate

Drug info:

PubChemData

Smile

COCC1=CC2=C(C=C1OCC34CC(C3)(C4)C#N)[C@H]5CCC6(N5N7C2=CC(=O)C(=C7)C(=O)O)CC6

DOS

IR

Vibrations