Geometry & MOs

Info

ID:	293551
PubChem CID:	117392851
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	2.48
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1C(=O)CCN)Cl)OC

DOS

IR

Vibrations