Geometry & MOs

Info

ID:	153302
PubChem CID:	56312482
Reduced:	ON2F4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	473.21147
ΔH_f, kcal/mol:	-220.6
Dipole, Da:	4.33
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations