Geometry & MOs

Info

ID:	364777
PubChem CID:	127316115
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-117.5
Dipole, Da:	5.25
IP(EA), eV:	-9.11(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations