Geometry & MOs

Info

ID:	131435
PubChem CID:	51204575
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	4.82
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations