Geometry & MOs

Info

ID:	324885
PubChem CID:	126678542
Reduced:	BrN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	301.261694
ΔH_f, kcal/mol:	-168.37
Dipole, Da:	2.55
IP(EA), eV:	-9.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[2-(3-ethyl-1-hydroxypentan-3-yl)oxyethyl]hexanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations