Geometry & MOs

Info

ID:	69107
PubChem CID:	46518693
Reduced:	ClOSF3N4C18H18 (1)
Stoich.:	ABCD3E4F18G18 (1)
Weight, g/mol:	428.211136
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	6.45
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CSC3=NC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations