Geometry & MOs

Info

ID:	368493
PubChem CID:	127329111
Reduced:	ClN2O5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-204.18
Dipole, Da:	4.89
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-2-(oxan-4-yloxy)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1COCCC1OCC(=O)NC2=CC(=C(C=C2)C(=O)N3CCOCC3)Cl

DOS

IR

Vibrations