Geometry & MOs

Info

ID:	139964
PubChem CID:	52622425
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	451.22712
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	5.96
IP(EA), eV:	-9.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(C[C@H](C)C#N)C(=O)/C=C/C1=CC=CC(=C1)C

DOS

IR

Vibrations