Geometry & MOs

Info

ID:	275021
PubChem CID:	103813203
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	279.174691
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	2.29
IP(EA), eV:	-9.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC=CC(=N1)C)N

DOS

IR

Vibrations