Geometry & MOs

Info

ID:	154121
PubChem CID:	56313510
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	5.66
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2F)OCC3=CC(=CC=C3)OC

DOS

IR

Vibrations