Geometry & MOs

Info

ID:	346562
PubChem CID:	127271066
Reduced:	O2N7C16H21 (1)
Stoich.:	A2B7C16D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	2.79
Dipole, Da:	5.09
IP(EA), eV:	-9.42(-1.12)
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-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)C2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations