Geometry & MOs

Info

ID:	50028
PubChem CID:	11538889
Reduced:	O2N6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	414.162267
ΔH_f, kcal/mol:	44.62
Dipole, Da:	6.29
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(N=N3)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations