Geometry & MOs

Info

ID:	15867
PubChem CID:	453930
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	5.47
IP(EA), eV:	-8.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-methylbenzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N)OC3=CC=CC=C3C1=O

DOS

IR

Vibrations