Geometry & MOs

Info

ID:	356118
PubChem CID:	127291154
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-126.7
Dipole, Da:	5.49
IP(EA), eV:	-9.02(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations