Geometry & MOs

Info

ID:	330627
PubChem CID:	127248034
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	6.05
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)C(=O)N3CCC(C3)(CN4CCCC4)O

DOS

IR

Vibrations