Geometry & MOs

Info

ID:	200098
PubChem CID:	79348119
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	28.85
Dipole, Da:	4.29
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC=CC1=CC=C(C=C1)OCC#N

DOS

IR

Vibrations