Geometry & MOs

Info

ID:	203290
PubChem CID:	79808413
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	337.99761
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	4.81
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[bromo-(4-methylthiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(=O)NCCCNC

DOS

IR

Vibrations