Geometry & MOs

Info

ID:	305802
PubChem CID:	124969972
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	8.68
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrazol-3-yl)-4-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)[C@H]3CCN(C3)C(=O)C4=C(N=C(O4)C)C)CC5=CC=CC=C5

DOS

IR

Vibrations