Geometry & MOs

Info

ID:	32195
PubChem CID:	6435845
Reduced:	ClN4O6C13H17 (1)
Stoich.:	AB4C6D13E17 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	9.36
IP(EA), eV:	-9.97(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl (E)-hex-2-enoate

Drug info:

PubChemData

Smile

C1COCCN1CC2C(NC(=O)O2)/N=C\C3=CC=C(O3)[N+](=O)[O-].Cl

DOS

IR

Vibrations