Geometry & MOs

Info

ID:	346354
PubChem CID:	127270858
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	8.67
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)NN=C2

DOS

IR

Vibrations