Geometry & MOs

Info

ID:	150716
PubChem CID:	53790411
Reduced:	ClN2O3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	324.302831
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	2.84
IP(EA), eV:	-9.13(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[(1R,2S)-2-octylcyclopropyl]octanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(C(=O)N(C)C1=CC(CC(C1)(C)C)(C)C)Cl

DOS

IR

Vibrations