Geometry & MOs

Info

ID:	243010
PubChem CID:	99215022
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	3.47
IP(EA), eV:	-8.56(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CCNC(=O)CCCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations