Geometry & MOs

Info

ID:	279895
PubChem CID:	103845564
Reduced:	N2O3C14H30 (1)
Stoich.:	A2B3C14D30 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-189.7
Dipole, Da:	3.98
IP(EA), eV:	-9.18(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCCNC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations