Geometry & MOs

Info

ID:	355583
PubChem CID:	127289341
Reduced:	OSN6C18H28 (1)
Stoich.:	ABC6D18E28 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	3.17
Dipole, Da:	3.56
IP(EA), eV:	-8.31(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations