Geometry & MOs

Info

ID:	294308
PubChem CID:	117452632
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-72.19
Dipole, Da:	3.56
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1C3(CCCC3)CN)Cl)OCO2

DOS

IR

Vibrations