Geometry & MOs

Info

ID:	324796
PubChem CID:	126678367
Reduced:	ON2H30C52 (1)
Stoich.:	AB2C30D52 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	220.73
Dipole, Da:	2.91
IP(EA), eV:	-8.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(2-hydroxyethyl)hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=C9C=CC=C1C9=C(C=C8)C2=CC=CC=C21)C1=C(C=C4)C2=CC=CC=C2O1

DOS

IR

Vibrations