Geometry & MOs

Info

ID:	41577
PubChem CID:	8146367
Reduced:	Cl2N2O4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	284.107339
ΔH_f, kcal/mol:	-155.36
Dipole, Da:	1.71
IP(EA), eV:	-9.22(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

DOS

IR

Vibrations