Geometry & MOs

Info

ID:	75344
PubChem CID:	48423357
Reduced:	N2F3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	386.181727
ΔH_f, kcal/mol:	-277.32
Dipole, Da:	3.51
IP(EA), eV:	-9.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(F)(F)F

DOS

IR

Vibrations