Geometry & MOs

Info

ID:	330097
PubChem CID:	127247084
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	13.46
Dipole, Da:	5.35
IP(EA), eV:	-9.19(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CCC3=CC=CS3

DOS

IR

Vibrations