Geometry & MOs

Info

ID:	293401
PubChem CID:	117387230
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	1.78
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=C1OCO2)C3(CCC3)CN)Cl

DOS

IR

Vibrations