Geometry & MOs

Info

ID:	197286
PubChem CID:	78947325
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	15.3
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C)N)OCC2=NC(=NO2)C3CC3

DOS

IR

Vibrations