Geometry & MOs

Info

ID:	284471
PubChem CID:	104048332
Reduced:	SN2O2H4C8 (1)
Stoich.:	AB2C2D4E8 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	40.49
Dipole, Da:	2.72
IP(EA), eV:	-9.58(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-formyl-1-propan-2-ylpyrazol-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C#CC1=CN2C=C(SC2=N1)C(=O)O

DOS

IR

Vibrations