Geometry & MOs

Info

ID:	279404
PubChem CID:	103843791
Reduced:	Cl2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-92.06
Dipole, Da:	2.35
IP(EA), eV:	-9.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dimethylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=N1)Cl)Cl)CO

DOS

IR

Vibrations