Geometry & MOs

Info

ID:	349356
PubChem CID:	127275143
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	2.45
IP(EA), eV:	-8.41(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,4-oxazepan-4-yl)-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations