Geometry & MOs

Info

ID:	186517
PubChem CID:	77441210
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	4.36
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-methyl-6-oxo-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl)acetate

Drug info:

PubChemData

Smile

CC12CCOCC1C3(COC(=N3)N)C4=C(C2)C=CC(=C4)C5=C(N=CC=C5)F

DOS

IR

Vibrations