Geometry & MOs

Info

ID:	154663
PubChem CID:	56314150
Reduced:	OF2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	401.17264
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	3.27
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)F)CC4=CC=CC=C4F

DOS

IR

Vibrations