Geometry & MOs

Info

ID:	398818
PubChem CID:	135035596
Reduced:	NC18H19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	328.175105
ΔH_f, kcal/mol:	62.96
Dipole, Da:	1.99
IP(EA), eV:	-8.21(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]piperazine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)[C@H]3C[C@@H]3CC4=CC=CC=C4

DOS

IR

Vibrations