Geometry & MOs

Info

ID:	428006
PubChem CID:	135165707
Reduced:	FOSN8H33C35 (1)
Stoich.:	ABCD8E33F35 (1)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	84.46
Dipole, Da:	5.87
IP(EA), eV:	-8.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)C8CCCN8)F)C9=CN=C(S9)C1CC1

DOS

IR

Vibrations