Geometry & MOs

Info

ID:	346344
PubChem CID:	127270848
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	5.98
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C(=O)N4CCCCC4)NN=C2

DOS

IR

Vibrations