Geometry & MOs

Info

ID:	416512
PubChem CID:	135089530
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	6.66
IP(EA), eV:	-9.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations