Geometry & MOs

Info

ID:	346514
PubChem CID:	127271018
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	5.02
IP(EA), eV:	-9.07(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-1H-indazole-7-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CC2=CC=CC=C2)C(=O)CCN3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations