Geometry & MOs

Info

ID:	328588
PubChem CID:	126725795
Reduced:	N2O3H34C45 (1)
Stoich.:	A2B3C34D45 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	119.02
Dipole, Da:	2.31
IP(EA), eV:	-7.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1S,2E)-cyclooct-2-en-1-yl]oxyethenyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)C4=CC=C(C=C4)C#CC(C#CC5=CC=C(C=C5)N6C7=C(C=C(C=C7)OC)C8=C6C=CC(=C8)OC)O

DOS

IR

Vibrations