Geometry & MOs

Info

ID:	346366
PubChem CID:	127270870
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	1.35
IP(EA), eV:	-8.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CNC(=O)CCC3CCCC3

DOS

IR

Vibrations