Geometry & MOs

Info

ID:	149003
PubChem CID:	53788674
Reduced:	SN3O6C23H23 (1)
Stoich.:	AB3C6D23E23 (1)
Weight, g/mol:	314.179442
ΔH_f, kcal/mol:	-180.98
Dipole, Da:	6.43
IP(EA), eV:	-9.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-3-[(4-fluoro-3-methoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)N)C(=O)O)C

DOS

IR

Vibrations