Geometry & MOs

Info

ID:	370114
PubChem CID:	127337480
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	379.22712
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	4.99
IP(EA), eV:	-8.84(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenoxy)propan-2-yl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCCOC3CCCCC3

DOS

IR

Vibrations