Geometry & MOs

Info

ID:	56713
PubChem CID:	22388688
Reduced:	FN3C28H36 (1)
Stoich.:	AB3C28D36 (1)
Weight, g/mol:	278.996617
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	3.26
IP(EA), eV:	-8.17(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-4,6-dichlorophenol

Drug info:

PubChemData

Smile

CC1CCCCN1C(=NC2CCCCC2)/C=C(/C3=CC=CC=C3C)\NC4=CC=C(C=C4)F

DOS

IR

Vibrations