Geometry & MOs

Info

ID:	284000
PubChem CID:	104025423
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	10.76
Dipole, Da:	3.6
IP(EA), eV:	-8.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4,4,4-trifluorobutanoic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)CCNC3=CC=CC=C3Br

DOS

IR

Vibrations