Geometry & MOs

Info

ID:	355909
PubChem CID:	127290761
Reduced:	OSN6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	59.93
Dipole, Da:	6.24
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(9H-xanthen-9-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations