Geometry & MOs

Info

ID:	243114
PubChem CID:	99215700
Reduced:	OSF3N3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-116.28
Dipole, Da:	3.46
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations