Geometry & MOs

Info

ID:	283997
PubChem CID:	104024947
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	367.98303
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	5.4
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromopyridin-3-yl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations