Geometry & MOs

Info

ID:	142231
PubChem CID:	53003973
Reduced:	ClO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	288.082267
ΔH_f, kcal/mol:	34.93
Dipole, Da:	1.32
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations