Geometry & MOs

Info

ID:	127371
PubChem CID:	51000652
Reduced:	ClN6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	390.221975
ΔH_f, kcal/mol:	100.55
Dipole, Da:	3.7
IP(EA), eV:	-8.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1CC(C2=CC=C(C=C2)Cl)NCC3=CC=CC=N3)C4=NC=CN=C4

DOS

IR

Vibrations