Geometry & MOs

Info

ID:	229721
PubChem CID:	87568646
Reduced:	O4C21H40 (1)
Stoich.:	A4B21C40 (1)
Weight, g/mol:	505.221286
ΔH_f, kcal/mol:	-262.82
Dipole, Da:	2.73
IP(EA), eV:	-10.64(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-[(E)-2-(1,3-benzodioxol-5-yl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenyl]prop-2-enoylamino]-N-hydroxyhexanamide

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)CCCCCCC(=O)OC

DOS

IR

Vibrations