Geometry & MOs

Info

ID:	126491
PubChem CID:	50966304
Reduced:	ClO2N6C16H19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	13.36
Dipole, Da:	5.69
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(=O)N2CCN3C(=CC(=N3)C(=O)NC4CC4)C2

DOS

IR

Vibrations