Geometry & MOs

Info

ID:	130770
PubChem CID:	51104495
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	82.94
Dipole, Da:	2.41
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations