Geometry & MOs

Info

ID:	418718
PubChem CID:	135106639
Reduced:	NSO2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	0.28
Dipole, Da:	3.99
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)CC4=CC(=CS4)C#CCO

DOS

IR

Vibrations