Geometry & MOs

Info

ID:	204115
PubChem CID:	79914025
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	2.33
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)N2CC(=O)N3CCCCC3C2=O

DOS

IR

Vibrations