Geometry & MOs

Info

ID:	355918
PubChem CID:	127290770
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	3.77
IP(EA), eV:	-9.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(oxan-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)NC3CCCOC3

DOS

IR

Vibrations