Geometry & MOs

Info

ID:	284002
PubChem CID:	104025594
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	275.038292
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	3.36
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethylsulfonyl)-3,4-dihydro-2H-1,5-benzoxazepine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C(=O)C3CC4CC4C3

DOS

IR

Vibrations