Geometry & MOs

Info

ID:	253873
PubChem CID:	103121267
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	28.48
Dipole, Da:	6.12
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC2=CC(=CS2)C#CCCO

DOS

IR

Vibrations