Geometry & MOs

Info

ID:	75316
PubChem CID:	48423321
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	4.19
IP(EA), eV:	-8.68(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations