Geometry & MOs

Info

ID:	71065
PubChem CID:	48414241
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	30.7
Dipole, Da:	2.71
IP(EA), eV:	-9.42(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N=C(S2)CC3=CC=CC=C3)C

DOS

IR

Vibrations