Geometry & MOs

Info

ID:	171349
PubChem CID:	75365279
Reduced:	N3O4C29H41 (1)
Stoich.:	A3B4C29D41 (1)
Weight, g/mol:	332.133634
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	9.11
IP(EA), eV:	-9.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@]12CCC(=NOCC(=O)N[C@@H]3CCCCNC3=O)C=C1CCC4C2CC[C@]5(C4CC[C@@]5(C#C)O)C

DOS

IR

Vibrations