Geometry & MOs

Info

ID:	41565
PubChem CID:	8146323
Reduced:	ClSO2N4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	3.1
IP(EA), eV:	-8.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCC[C@@H](C2)C(=O)OCC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations