Geometry & MOs

Info

ID:	138186
PubChem CID:	52326279
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-143.54
Dipole, Da:	2.36
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NCC(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations