Geometry & MOs

Info

ID:	346337
PubChem CID:	127270841
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	6.96
IP(EA), eV:	-9.29(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations