Geometry & MOs

Info

ID:	29921
PubChem CID:	838259
Reduced:	ClNO4H10C15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	229.029442
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	5.82
IP(EA), eV:	-10.7(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzo[b][1,4]benzoxazepine

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C#N)C1=C(C(=O)C2=CC=CC=C2C1=O)Cl

DOS

IR

Vibrations