Geometry & MOs

Info

ID:	74719
PubChem CID:	48422351
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-188.45
Dipole, Da:	3.43
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(C)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations