Geometry & MOs

Info

ID:	355460
PubChem CID:	127288523
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	1.91
IP(EA), eV:	-8.98(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations