Geometry & MOs

Info

ID:	435572
PubChem CID:	135191844
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	358.134028
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	1.5
IP(EA), eV:	-9.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[7-(difluoromethoxy)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H](C[C@H]1[C@@H]2C(O2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations