Geometry & MOs

Info

ID:	323083
PubChem CID:	126672159
Reduced:	SO10N15C45H57 (1)
Stoich.:	AB10C15D45E57 (1)
Weight, g/mol:	269.271865
ΔH_f, kcal/mol:	-222.22
Dipole, Da:	11.36
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-hexylnonanamide

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)C4=C(N=C(S4)NC5=NC=CC=N5)C6=CC=CC=N6)C(O)O

DOS

IR

Vibrations