Geometry & MOs

Info

ID:	138185
PubChem CID:	52325658
Reduced:	FON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	1.19
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations