Geometry & MOs

Info

ID:	265244
PubChem CID:	103514305
Reduced:	OF2N2C7H12 (1)
Stoich.:	AB2C2D7E12 (1)
Weight, g/mol:	325.95208
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	2.62
IP(EA), eV:	-9.42(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-8-(1-chloro-2,2-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)C(=O)C(F)F

DOS

IR

Vibrations