Geometry & MOs

Info

ID:	45464
PubChem CID:	10513802
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	233.132826
ΔH_f, kcal/mol:	-100.89
Dipole, Da:	2.92
IP(EA), eV:	-8.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CNC2=C1C=C(C=C2)OC

DOS

IR

Vibrations