Geometry & MOs

Info

ID:	52449
PubChem CID:	12015312
Reduced:	N6O6C39H64 (1)
Stoich.:	A6B6C39D64 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-301.38
Dipole, Da:	5.62
IP(EA), eV:	-9.24(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-hex-4-en-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCC1C(=O)NC(CCCC(NC(=O)C(NCC2=CC=CC(=C2)CN1)CCCCCC)C(=O)N3CCOCC3)C(=O)N4CCOCC4

DOS

IR

Vibrations