Geometry & MOs

Info

ID:	349351
PubChem CID:	127275138
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	5.47
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

DOS

IR

Vibrations