Geometry & MOs

Info

ID:	225197
PubChem CID:	85747890
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	4.99
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxyhexyl 3-ethylhexanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations