Geometry & MOs

Info

ID:	37161
PubChem CID:	8017636
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	3.72
IP(EA), eV:	-9.0(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@@H](C)OC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations