Geometry & MOs

Info

ID:	363033
PubChem CID:	127310058
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	0.6
Dipole, Da:	1.75
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCSC1CCCCN(C1)C(=O)CC2=C(N(N=N2)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations