Geometry & MOs

Info

ID:	349355
PubChem CID:	127275142
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-37.11
Dipole, Da:	3.93
IP(EA), eV:	-8.83(-1.01)
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)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

DOS

IR

Vibrations