Geometry & MOs

Info

ID:	131154
PubChem CID:	51166505
Reduced:	ClN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-165.67
Dipole, Da:	2.02
IP(EA), eV:	-9.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)CNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations