Geometry & MOs

Info

ID:	131311
PubChem CID:	51189127
Reduced:	ClOSN4H13C14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	68.53
Dipole, Da:	7.03
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Cl)C(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations