Geometry & MOs

Info

ID:	55545
PubChem CID:	17395523
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C=CC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations