Geometry & MOs

Info

ID:	71016
PubChem CID:	48414182
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-68.89
Dipole, Da:	1.75
IP(EA), eV:	-9.09(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)COCCOC2=CC=CC=C2

DOS

IR

Vibrations