Geometry & MOs

Info

ID:	153603
PubChem CID:	56312867
Reduced:	ClFON4C23H28 (1)
Stoich.:	ABCD4E23F28 (1)
Weight, g/mol:	477.20394
ΔH_f, kcal/mol:	-48.63
Dipole, Da:	6.51
IP(EA), eV:	-8.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations