Geometry & MOs

Info

ID:	75305
PubChem CID:	48423309
Reduced:	O2F3N4C15H17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	2.08
IP(EA), eV:	-9.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=NN=C2N1C=C(C=C2)C(F)(F)F)OCC3CC3

DOS

IR

Vibrations