Geometry & MOs

Info

ID:	131908
PubChem CID:	51277771
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	5.67
IP(EA), eV:	-8.95(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations