Geometry & MOs

Info

ID:	83678
PubChem CID:	49860017
Reduced:	BrFN2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	402.13068
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	2.13
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCN(CC2)C[C@H]3C[C@@H]3C4=CC=CC=C4.Br

DOS

IR

Vibrations