Geometry & MOs

Info

ID:	395447
PubChem CID:	135025503
Reduced:	O5C21H22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	357.097663
ΔH_f, kcal/mol:	-150.2
Dipole, Da:	3.56
IP(EA), eV:	-9.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-10-(trifluoromethyl)naphtho[1,2-b][1,4]benzoxazepin-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1([C@H]([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations