Geometry & MOs

Info

ID:	419401
PubChem CID:	135108120
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	1.89
IP(EA), eV:	-7.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OC)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations