Geometry & MOs

Info

ID:	355398
PubChem CID:	127288461
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	6.66
IP(EA), eV:	-9.23(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations