Geometry & MOs

Info

ID:	55543
PubChem CID:	17395521
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	47.64
Dipole, Da:	5.42
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations