Geometry & MOs

Info

ID:	419673
PubChem CID:	135108688
Reduced:	FO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	4.69
IP(EA), eV:	-9.03(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CN(C)CC2=CC(=NO2)C3=CC=CC=N3

DOS

IR

Vibrations