Geometry & MOs

Info

ID:	130275
PubChem CID:	51075476
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	6.44
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations