Geometry & MOs

Info

ID:	330616
PubChem CID:	127248023
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-145.68
Dipole, Da:	4.2
IP(EA), eV:	-8.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CCN(C2)C(=O)CC3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations