Geometry & MOs

Info

ID:	130045
PubChem CID:	51074730
Reduced:	NSO2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	266.143056
ΔH_f, kcal/mol:	-126.01
Dipole, Da:	7.44
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1CC1C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations