Geometry & MOs

Info

ID:	342349
PubChem CID:	127265172
Reduced:	ClN5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	330.069258
ΔH_f, kcal/mol:	57.1
Dipole, Da:	5.92
IP(EA), eV:	-7.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-but-2-enylsulfonylethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)NCC2=C(C=CC=C2Cl)N3CCN(CC3)C

DOS

IR

Vibrations