Geometry & MOs

Info

ID:	137412
PubChem CID:	52205284
Reduced:	FNSO4C20H26 (1)
Stoich.:	ABCD4E20F26 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-195.02
Dipole, Da:	8.64
IP(EA), eV:	-9.22(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-(4-methoxybenzoyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N3CCO[C@@H](C3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations