Geometry & MOs

Info

ID:	142530
PubChem CID:	53051513
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	2.32
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)C3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations