Geometry & MOs

Info

ID:	84926
PubChem CID:	49870690
Reduced:	FOSN3H18C25 (1)
Stoich.:	ABCD3E18F25 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	55.35
Dipole, Da:	5.44
IP(EA), eV:	-7.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-3,12-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-6-yl)-4-(2-phenylethyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=C(NC(=CN3C2=O)C4=CC=CC=C4)SC5=CC=C(C=C5)F

DOS

IR

Vibrations