Geometry & MOs

Info

ID:	145759
PubChem CID:	53587722
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	21.71
Dipole, Da:	8.17
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C#N)C(=O)C2=CNC=C2C3=CC=CC=C3OC

DOS

IR

Vibrations