Geometry & MOs

Info

ID:	304379
PubChem CID:	124570875
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	20.07
Dipole, Da:	4.36
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]pyrazol-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CNCCN1C(=O)/C=C/C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations