Geometry & MOs

Info

ID:	287657
PubChem CID:	104250646
Reduced:	ON4C11H22 (1)
Stoich.:	AB4C11D22 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	4.68
IP(EA), eV:	-9.68(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CC(CC(C)OC)N

DOS

IR

Vibrations