Geometry & MOs

Info

ID:	346503
PubChem CID:	127271007
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	29.73
Dipole, Da:	5.5
IP(EA), eV:	-8.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NC3=C(C=C(C=C3)N4CCSCC4)C)NN=C2

DOS

IR

Vibrations