Geometry & MOs

Info

ID:	21900
PubChem CID:	593305
Reduced:	OF2N3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	273.071368
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	3.76
IP(EA), eV:	-9.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzotriazol-1-yl-(4,5-difluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)N2C3=CC=CC=C3N=N2)F)F

DOS

IR

Vibrations