Geometry & MOs

Info

ID:	140777
PubChem CID:	52758302
Reduced:	BrN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	3.01
IP(EA), eV:	-8.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(=O)NC2=CC(=C(C=C2)Br)C)OCC(=O)N(C)C

DOS

IR

Vibrations