Geometry & MOs

Info

ID:	75282
PubChem CID:	48423275
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-117.27
Dipole, Da:	3.38
IP(EA), eV:	-9.33(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC=C(C=C2)CNC(=O)C(C)OCC3CC3

DOS

IR

Vibrations