Geometry & MOs

Info

ID:	74537
PubChem CID:	48422037
Reduced:	N2O2F3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-239.26
Dipole, Da:	4.0
IP(EA), eV:	-9.19(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC(F)(F)F)OCC2CC2

DOS

IR

Vibrations