Geometry & MOs

Info

ID:	29147
PubChem CID:	831935
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	20.85
Dipole, Da:	1.42
IP(EA), eV:	-9.1(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)N[C@H](CC=C)C2=CC=CC=C2

DOS

IR

Vibrations