Geometry & MOs

Info

ID:	153917
PubChem CID:	56313255
Reduced:	FO3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	431.182062
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	6.51
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F)C

DOS

IR

Vibrations