Geometry & MOs

Info

ID:	145791
PubChem CID:	53593141
Reduced:	N2S3O4C10H10 (1)
Stoich.:	A2B3C4D10E10 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	6.61
IP(EA), eV:	-8.86(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations