Geometry & MOs

Info

ID:	370708
PubChem CID:	127339953
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	28.05
Dipole, Da:	5.22
IP(EA), eV:	-9.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations