Geometry & MOs

Info

ID:	330133
PubChem CID:	127247120
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	1.95
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations