Geometry & MOs

Info

ID:	129809
PubChem CID:	51073923
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-72.1
Dipole, Da:	4.45
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CN2)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations