Geometry & MOs

Info

ID:	39095
PubChem CID:	8139684
Reduced:	BrN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	382.037479
ΔH_f, kcal/mol:	-31.41
Dipole, Da:	2.29
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations