Geometry & MOs

Info

ID:	399875
PubChem CID:	135043399
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	4.19
IP(EA), eV:	-9.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-oct-1-ynylpentanamide

Drug info:

PubChemData

Smile

C1COC(O1)CC(C2=CC=CC=C2Br)O

DOS

IR

Vibrations