Geometry & MOs

Info

ID:	17695
PubChem CID:	512451
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	5.66
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-methoxy-3-methyl-3,4-dihydro-2H-benzo[i][1,4]benzoxazepin-5-one

Drug info:

PubChemData

Smile

C[C@H]1COC2=C(C=CC3=C2C=C(C=C3)OC)C(=O)N1

DOS

IR

Vibrations