Geometry & MOs

Info

ID:	167300
PubChem CID:	74806178
Reduced:	ON2C15H22 (2)
Stoich.:	AB2C15D22 (2)
Weight, g/mol:	424.169488
ΔH_f, kcal/mol:	-4.4
Dipole, Da:	14.36
IP(EA), eV:	-5.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-pyridin-3-yloxypropyl)-2-(2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3CCC(=O)N4CCCC4)CC5=CC=CC=C5

DOS

IR

Vibrations